0 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,0,0,0,0,0|4,0,0]=4 28 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,0,0,0,0,0|0,0,0]=1 38 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,0,0,0,0,0|1,0,1]=3 40 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,0,0,0,0,0|0,0,2]=3 41 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,0,0,0,0,0|2,1,0]=4 42 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,0,0,0,0,0|2,1,0]=4 47 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.6 O=C(O)C1=NC=COC1 CNP0348069.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [1,0,0,0,0,0|0,0,1]=2 63 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,0,0,0,0,0|0,0,1]=2 69 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,0,0,0,0|3,0,0]=4 76 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,1,0,0,0,0|3,0,0]=4 78 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.53 CC=C1CCCN=C1C(=O)C CNP0002559.0 [0,1,0,0,0,0|1,0,2]=4 80 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.53 COC1=NC=CC=C1C(=O)O CNP0479827.0 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [0,1,0,0,0,0|1,0,1]=3 87 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [0,1,0,0,0,0|1,0,1]=3 88 B11R1.53 NNC1=NC=CC=C1C(=O)O CNP0076612.0 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.156 O=C(O)C1=C(C=CN=C1O)O CNP0335084.0 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.159 O=C(O)C1=NC=CC(=C1O)O CNP0146283.0 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [0,1,0,0,0,0|0,0,0]=1 107 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,1,0,0,0,0|3,0,0]=4 108 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.166 CC1=NC(=NC=C1C(=O)O)N CNP0397736.0 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.166 O=C(O)C1=CC=C(N=C1Cl)Cl CNP0609125.0 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [0,1,0,0,0,0|0,0,0]=1 116 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.167 O=C(O)C1=NC(=CC=C1Cl)Cl CNP0350104.0 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,0,0,0,0|3,0,0]=4 126 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,0,1,0,0,0|3,0,0]=4 127 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [0,0,1,0,0,0|2,0,1]=4 128 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,0,0,1,0,0|1,0,1]=3 129 B11R2.1 CC1=C2N=CN=NC2=CO1 CNP0291777.0 [0,0,0,1,0,0|1,0,2]=4 130 B11R2.1 CC1=C2N=CON=C2C=N1 CNP0005724.0 [0,0,0,1,0,0|2,0,1]=4 131 B11R2.1 CC1=C2N=CON=C2N=C1 CNP0001013.0 [0,0,0,1,0,0|3,0,0]=4 132 B11R2.1 CC1=C2N=NC=NC2=CO1 CNP0094851.0 [0,0,0,1,0,0|1,0,2]=4 133 B11R2.1 CC1=C2OC=CN=C2N=N1 CNP0107467.0 [0,0,0,1,0,0|3,0,0]=4 134 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,0,0,1,0,0|3,0,0]=4 135 B11R2.1 CC1=CN=C2C1=NOC=N2 CNP0000998.0 [0,0,0,1,0,0|3,0,0]=4 136 B11R2.1 CC1=CNC2=CC=CN=C12 CNP0018040.0 [0,0,0,1,0,0|3,0,0]=4 137 B11R2.1 CC1=COC2=NC=NN=C12 CNP0156152.0 [0,0,0,1,0,0|3,0,0]=4 138 B11R2.1 CC1=COC2=NN=CN=C12 CNP0000920.0 [0,0,0,1,0,0|3,0,0]=4 139 B11R2.1 CC1=NC=C2C1=NOC=N2 CNP0349089.0 [0,0,0,1,0,0|2,0,1]=4 140 B11R2.1 CC1=NN=C2C1=NC=CO2 CNP0004591.0 [0,0,0,1,0,0|3,0,0]=4 141 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [0,0,0,1,0,0|2,0,0]=3 142 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,0,0,1,0,0|1,0,2]=4 143 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,0,0,1,0,0|1,0,1]=3 144 B11R2.1 NC1=C2N=CC=NC2=CO1 CNP0001001.0 [0,0,0,1,0,0|1,0,2]=4 145 B11R2.1 NC1=COC2=NC=CN=C12 CNP0001032.0 [0,0,0,1,0,0|2,0,1]=4 146 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,0,0,1,0,0|2,0,0]=3 147 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,0,0,1,0,0|3,0,0]=4 148 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,0,0,1,0,0|3,0,0]=4 149 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,0,0,1,0,0|3,0,0]=4 150 B11R2.1 O=C1NNC2=CC=CN=C12 CNP0001333.0 [0,0,0,1,0,0|3,0,0]=4 151 B11R2.1 O=C1NNC2=NC=CC=C12 CNP0343378.0 [0,0,0,1,0,0|3,0,0]=4 152 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,0,0,1,0,0|3,0,0]=4 153 B11R2.1 OC1=C2N=CC=NC2=CN1 CNP0000942.0 [0,0,0,1,0,0|1,0,2]=4 154 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,0,0,1,0,0|3,0,0]=4 155 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,0,0,1,0,0|3,0,0]=4 156 B9R1.41 C=C1C=CC=C1C(=O)O CNP0542431.0 [0,0,0,0,1,0|2,0,1]=4 157 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,0,0,1,0|1,0,0]=2 158 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,0,0,0,1,0|2,0,0]=3 159 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,0,0,0,1,0|1,0,0]=2 160 B9R1.41 CC(=O)C1=C(CCC1)C CNP0084970.0 [0,0,0,0,1,0|1,0,2]=4 161 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,0,0,0,1,0|2,0,0]=3 162 B9R1.41 CC(=O)C1=CCC[C@H]1C CNP0246388.1 [0,0,0,0,1,0|1,0,2]=4 163 B9R1.41 CC(=O)C1=CNC=C1C CNP0286999.0 [0,0,0,0,1,0|2,0,0]=3 164 B9R1.41 CC(=O)C1CCC=C1C CNP0610486.0 [0,0,0,0,1,0|1,0,2]=4 165 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,0,0,0,1,0|2,0,0]=3 166 B9R1.41 CC1=C(NC=C1)C(=O)O CNP0198389.0 [0,0,0,0,1,0|1,0,1]=3 167 B9R1.41 CC1=C(NN=C1)C(=O)O CNP0611632.0 [0,0,0,0,1,0|2,0,1]=4 168 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,0,0,1,0|2,0,0]=3 169 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,0,0,0,1,0|2,0,0]=3 170 B9R1.41 CC1=C(SC=C1)C(=O)O CNP0195449.0 [0,0,0,0,1,0|2,0,0]=3 171 B9R1.41 CC1=CC=NN1C(=O)N CNP0051852.0 [0,0,0,0,1,0|2,0,0]=3 172 B9R1.41 CC1=CNN=C1C(=O)O CNP0171150.0 [0,0,0,0,1,0|2,0,0]=3 173 B9R1.41 CC1=NNN=C1[N+](=O)[O-] CNP0553630.0 [0,0,0,0,1,0|3,0,0]=4 174 B9R1.41 CN1N=CC=C1C(=O)O CNP0141031.0 [0,0,0,0,1,0|2,0,0]=3 175 B9R1.41 NC(=O)C1=C(N=CN1)N CNP0490493.0 [0,0,0,0,1,0|2,0,1]=4 176 B9R1.41 NC(=O)C1=C(NC=N1)N CNP0545145.0 [0,0,0,0,1,0|2,0,1]=4 177 B9R1.41 NC(=O)[C@H]1N=CN=C1N CNP0212816.1 [0,0,0,0,1,0|2,0,1]=4 178 B9R1.41 O=C(O)C1=CON=C1O CNP0539416.0 [0,0,0,0,1,0|3,0,0]=4 179 B9R1.41 O=C(O)C1=NON=C1O CNP0539501.0 [0,0,0,0,1,0|3,0,0]=4 180 B9R1.41 O=C(O)C1=NSN=C1O CNP0549412.0 [0,0,0,0,1,0|3,0,0]=4 181 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,0,0,0,0,1|3,0,0]=4 182 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,0,0,0,0,1|2,0,0]=3 183 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,0,0,0,0,1|3,0,0]=4 184 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,0,0,0,0,1|3,0,0]=4 185 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,0,0,0,0,1|3,0,0]=4 186 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,0,0,0,0,1|2,0,0]=3 187 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,0,0,0,0,1|1,0,1]=3 188 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|2,0,0]=4 189 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [1,0,1,0,0,0|1,0,1]=4 190 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|1,0,1]=4 191 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [2,0,0,0,0,0|1,0,1]=4 192 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [2,0,0,0,0,0|1,0,1]=4 193 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [2,0,0,0,0,0|0,0,1]=3 194 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,1]=4 195 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,1]=4 196 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|0,0,1]=3 197 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 198 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 199 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|1,0,0]=3 200 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [2,0,0,0,0,0|1,0,0]=3 201 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [2,0,0,0,0,0|1,0,1]=4 202 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|2,0,0]=4 203 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [2,0,0,0,0,0|1,0,0]=3 204 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [2,0,0,0,0,0|1,0,0]=3 205 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [2,0,0,0,0,0|2,0,0]=4 206 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [2,0,0,0,0,0|0,1,1]=4 207 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [2,0,0,0,0,0|2,0,0]=4 209 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|2,0,0]=4 210 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,0,1]=4 213 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [2,0,0,0,0,0|0,0,0]=2 214 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,1,1,0,0,0|2,0,0]=4 215 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [1,1,0,0,0,0|2,0,0]=4 216 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [1,1,0,0,0,0|1,0,0]=3 222 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.13 CC(=O)C1=CN=C(C=N1)C CNP0296549.0 [1,1,0,0,0,0|0,0,0]=2 224 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [1,1,0,0,0,0|1,0,1]=4 225 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.13 NC(=O)C1=CNC(=O)C=N1 CNP0002360.0 [1,1,0,0,0,0|1,0,1]=4 228 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.15 CC(=NO)C1=CC=CC=N1 CNP0145934.0 [1,1,0,0,0,0|1,0,1]=4 231 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|1,0,0]=3 233 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [1,1,0,0,0,0|1,0,1]=4 234 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.15 CNC(=O)C1=CC=CN=C1 CNP0108098.0 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.15 COC(=O)C1=CC=CC=N1 CNP0214824.0 [1,1,0,0,0,0|1,0,0]=3 238 B10R1.15 COC(=O)C1=CC=CN=C1 CNP0284518.0 [1,1,0,0,0,0|1,0,0]=3 239 B10R1.15 COC(=O)C1=CN=CC=N1 CNP0080083.0 [1,1,0,0,0,0|0,0,0]=2 240 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.15 NNC(=O)C1=CC=CC=N1 CNP0280058.0 [1,1,0,0,0,0|2,0,0]=4 243 B10R1.15 NNC(=O)C1=CC=CN=C1 CNP0220603.0 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|2,0,0]=4 246 B10R1.15 O=C(NO)C1=CC=CN=C1 CNP0109606.0 [1,1,0,0,0,0|2,0,0]=4 247 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,1,0,0,0,0|1,0,0]=3 248 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|2,0,0]=4 249 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|2,0,0]=4 250 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,1,0,0,0,0|1,0,0]=3 251 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [1,1,0,0,0,0|2,0,0]=4 252 B10R1.113 CC(=O)C1=CN=CC(=N1)C CNP0203501.0 [1,1,0,0,0,0|0,0,0]=2 253 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.113 CC1=CN=CC(=N1)C(C)C CNP0492233.0 [1,1,0,0,0,0|1,0,1]=4 255 B10R1.113 NC(=O)C1=CN=CC(=C1)Br CNP0596398.0 [1,1,0,0,0,0|2,0,0]=4 256 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [1,1,0,0,0,0|2,0,0]=4 257 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [1,1,0,0,0,0|0,0,1]=3 259 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [1,1,0,0,0,0|2,0,0]=4 260 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [1,1,0,0,0,0|0,0,0]=2 261 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [1,1,0,0,0,0|0,0,1]=3 262 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [1,1,0,0,0,0|0,0,1]=3 263 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [1,1,0,0,0,0|0,0,1]=3 265 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [1,1,0,0,0,0|0,0,1]=3 266 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,1,0,0,0,0|2,0,0]=4 267 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,1,0,0,0,0|2,0,0]=4 268 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [1,1,0,0,0,0|0,0,1]=3 269 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [1,1,0,0,0,0|2,0,0]=4 270 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [1,1,0,0,0,0|0,0,1]=3 271 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [1,1,0,0,0,0|0,0,1]=3 273 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [1,1,0,0,0,0|2,0,0]=4 274 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [1,1,0,0,0,0|0,0,1]=3 275 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [1,1,0,0,0,0|2,0,0]=4 278 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,1,0,0,0,0|2,0,0]=4 279 B10R1.39 CC(=O)C1=CNC=C1CO CNP0148283.0 [0,1,0,0,1,0|2,0,0]=4 280 B10R1.39 CCN1C=CC=C1C(=O)C CNP0359899.0 [0,1,0,0,1,0|2,0,0]=4 281 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [0,1,0,0,1,0|1,0,0]=3 282 B10R1.59 CC(=O)C1=C(N=C(O1)C)C CNP0224102.0 [0,1,0,0,1,0|1,0,0]=3 283 B10R1.59 CC(=O)C1=C(N=C(S1)C)C CNP0002407.0 [0,1,0,0,1,0|1,0,0]=3 284 B10R1.59 CC(=O)C1=C(OC(=C1)C)C CNP0003652.0 [0,1,0,0,1,0|1,0,0]=3 285 B10R1.59 CC(=O)C1=C(SC(=C1)C)C CNP0002469.0 [0,1,0,0,1,0|1,0,0]=3 286 B10R1.59 CC(=O)N1N=C(C=C1C)C CNP0131376.0 [0,1,0,0,1,0|1,0,0]=3 287 B10R1.59 CC1=C(OC(=C1)O)C(=O)O CNP0509473.0 [0,1,0,0,1,0|2,0,0]=4 288 B10R1.59 CC1=C(SC(=N1)N)C(=O)O CNP0463175.0 [0,1,0,0,1,0|2,0,0]=4 289 B10R1.59 CC1=NN(C(=C1)C)C(=O)N CNP0595447.0 [0,1,0,0,1,0|2,0,0]=4 290 B10R1.149 CCC(=O)C1=CC=CN1C CNP0151134.0 [0,1,0,0,1,0|2,0,0]=4 291 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,0,1,0|1,0,0]=3 292 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [0,1,0,0,1,0|1,0,0]=3 293 B10R1.149 COC(=O)N1N=CC=C1C CNP0206322.0 [0,1,0,0,1,0|1,0,0]=3 294 B10R1.194 CC1=C(NC=C1Br)C(=O)N CNP0121893.0 [0,1,0,0,1,0|1,0,1]=4 295 B12R1.75 CCC1=CC=CC=C1NC(=O)C CNP0050892.0 [0,1,0,0,0,1|2,0,0]=4 296 B12R1.75 CCC1=CC=CC=C1OC(=O)C CNP0564873.0 [0,1,0,0,0,1|2,0,0]=4 297 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,1,0,0,0,1|2,0,0]=4 298 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,1,0,0,0,1|2,0,0]=4 299 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,1,0,0,0,1|2,0,0]=4 300 B12R1.75 COC1=NC=CN=C1CC(C)C CNP0323882.0 [0,1,0,0,0,1|1,0,1]=4 301 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,1,0,0,0,1|2,0,0]=4 302 B12R1.127 CC(=O)NC1=CC(=CC=C1C)Cl CNP0258094.0 [0,1,0,0,0,1|2,0,0]=4 303 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,1,0,0,0,1|2,0,0]=4 304 B12R1.127 CC1=CN=C(C(=N1)CC(C)C)C CNP0331264.0 [0,1,0,0,0,1|1,0,1]=4 305 B12R1.224 CC(=O)NC1=CC=CC(=C1C)C CNP0173088.0 [0,1,0,0,0,1|2,0,0]=4 306 B12R1.224 CC(=O)NC1=CC=CC(=C1C)Cl CNP0343401.0 [0,1,0,0,0,1|2,0,0]=4 307 B12R1.233 CC(=O)NC1=CC=C(C=C1C)C CNP0024058.0 [0,1,0,0,0,1|2,0,0]=4 308 B12R1.233 CC(=O)NC1=CC=C(C=C1C)Cl CNP0052006.0 [0,1,0,0,0,1|2,0,0]=4 309 B12R1.233 CC(=O)OC1=CC=C(C=C1C)O CNP0077014.0 [0,1,0,0,0,1|2,0,0]=4 310 B12R1.233 CC1=CN=C(C(=N1)C)CC(C)C CNP0086327.0 [0,1,0,0,0,1|1,0,1]=4 311 B12R1.1009 CC(=O)NC1=C(C=CC=C1C)C CNP0022970.0 [0,1,0,0,0,1|2,0,0]=4 312 B12R1.46 COC1=NC=C(N=C1C(C)C)C CNP0379235.0 [0,2,0,0,0,0|1,0,1]=4 313 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,2,0,0,0,0|2,0,0]=4 314 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,2,0,0,0,0|2,0,0]=4 315 B12R1.76 COC1=NC=CN=C1C(C)(C)O CNP0352781.0 [0,2,0,0,0,0|0,0,2]=4 316 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC CNP0249428.1 [0,2,0,0,0,0|1,0,1]=4 317 B12R1.77 CNC1=CC=CC=C1C(=O)OC CNP0130292.0 [0,2,0,0,0,0|2,0,0]=4 318 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,2,0,0,0,0|2,0,0]=4 319 B12R1.437 COC1=CC=CC(=C1C(=O)C)C CNP0111015.0 [0,2,0,0,0,0|2,0,0]=4 320 B12R1.437 COC1=CC=CC(=C1C(=O)C)O CNP0394493.0 [0,2,0,0,0,0|2,0,0]=4 321 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)C CNP0142841.0 [0,2,0,0,0,0|2,0,0]=4 322 B12R1.1000 CC1=CC(=C(C(=N1)C)C(=O)O)C CNP0551550.0 [0,2,0,0,0,0|2,0,0]=4 323 B12R1.3441 COC(=O)C1=C(C=CC=C1O)C CNP0214787.0 [0,2,0,0,0,0|2,0,0]=4 324 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [0,2,0,0,0,0|2,0,0]=4 325 B12R1.232 CC1=NC(=C(N=C1C)C(=O)O)C CNP0225185.0 [0,2,0,0,0,0|1,0,0]=3 326 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|2,0,0]=4 327 B12R1.1703 COC(=O)C1=CC=C(C=C1C)O CNP0298795.0 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.10 CC=CC1=CN=CC(=N1)C CNP0002577.0 [0,0,1,1,0,0|2,0,0]=4 329 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|2,0,0]=4 330 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [1,0,0,1,0,0|1,0,1]=4 331 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [1,0,0,1,0,0|0,0,1]=3 332 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|1,0,1]=4 333 B10R2.7 C1=CN=C2NN=CC2=N1 CNP0367897.0 [1,0,0,1,0,0|2,0,0]=4 334 B10R2.32 O=C1CCC2=C1C=CS2 CNP0047284.0 [0,0,0,1,1,0|1,0,0]=3 335 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [0,0,0,1,0,1|1,0,1]=4 336 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,1|2,0,0]=4 337 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,1|2,0,0]=4 338 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,1|2,0,0]=4 339 B12R2.24 O=C1CSC2=NC=CC=C2N1 CNP0047542.0 [0,0,0,1,0,1|2,0,0]=4 340 B12R2.1081 CC1=CC=CC2=NC=CN=C12 CNP0283701.0 [0,1,0,1,0,0|1,0,1]=4 341 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|2,0,0]=4 342 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|2,0,0]=4 343 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|2,0,0]=4 344 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|2,0,0]=4 345 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|2,0,0]=4 346 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|2,0,0]=4 347 B12R2.1806 COC1=CC=CC2=C1C(=O)C2 CNP0108126.0 [0,1,0,1,0,0|2,0,0]=4 348 B12R2.2028 C[C@@H]1CC(=O)C2=CC=CC=C12 CNP0276144.2 [0,1,0,1,0,0|2,0,0]=4 349 B12R2.2028 C[C@H]1CC(=O)C2=CC=CC=C12 CNP0276144.1 [0,1,0,1,0,0|2,0,0]=4 350 B12R2.203 CC1=CC=CC2=C1C(=O)OC2 CNP0056851.0 [0,1,0,1,0,0|2,0,0]=4 351 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|2,0,0]=4 352 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|2,0,0]=4 353 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|2,0,0]=4 354 B12R2.612 CC1=CN=C2C(=N1)CC[C@H]2C CNP0338936.1 [0,1,0,1,0,0|1,0,1]=4 355 B12R2.612 O=C1CCC2=CC(=CC=C12)O CNP0499088.0 [0,1,0,1,0,0|2,0,0]=4 356 B12R2.3028 CC1=CC(=C2C(=O)CC2=C1)C CNP0342183.0 [0,1,0,1,0,0|2,0,0]=4 357 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|2,0,0]=4 358 B12R2.132 CC1=CN=C2CC[C@H](C2=N1)C CNP0330919.1 [0,1,0,1,0,0|1,0,1]=4 359 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [0,1,0,1,0,0|2,0,0]=4 360 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|2,0,0]=4 361 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,0,0,0,1,0|2,0,0]=4 363 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,0,0,0,1,0|0,0,1]=3 364 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,0,0,0,1,0|1,0,0]=3 365 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,0,0,0,1,0|1,0,0]=3 366 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [1,0,0,0,1,0|1,0,0]=3 367 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,0,0,0,1,0|1,0,0]=3 368 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [1,0,0,0,1,0|1,0,0]=3 369 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [1,0,0,0,1,0|2,0,0]=4 370 B8R1.7 CC(=O)N1C=CN=C1 CNP0241131.0 [1,0,0,0,1,0|1,0,0]=3 371 B8R1.7 NC(=C1C=CN=C1)N CNP0090850.0 [1,0,0,0,1,0|2,0,0]=4 372 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [1,0,0,0,1,0|1,0,1]=4 373 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,0,0,0,1,0|2,0,0]=4 374 B8R1.7 NC(=O)C1=CN=CN1 CNP0585568.0 [1,0,0,0,1,0|1,0,1]=4 375 B8R1.7 NC(=O)C1=CNC=N1 CNP0130014.0 [1,0,0,0,1,0|1,0,1]=4 376 B8R1.7 NC(=O)C1=NNC=C1 CNP0117366.0 [1,0,0,0,1,0|2,0,0]=4 377 B8R1.7 O=C(Cl)C1=COC=C1 CNP0176972.0 [1,0,0,0,1,0|2,0,0]=4 378 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [1,0,0,0,1,0|1,0,1]=4 379 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,0,0,0,1,0|2,0,0]=4 380 B8R1.7 O=C(O)C1=CN=CN1 CNP0581478.0 [1,0,0,0,1,0|1,0,1]=4 381 B8R1.7 O=C(O)C1=CNC=C1 CNP0207521.0 [1,0,0,0,1,0|1,0,1]=4 382 B8R1.7 O=C(O)C1=CNC=N1 CNP0458584.0 [1,0,0,0,1,0|1,0,1]=4 383 B8R1.7 O=C(O)C1=COC=C1 CNP0199311.0 [1,0,0,0,1,0|2,0,0]=4 384 B8R1.7 O=C(O)C1=CON=C1 CNP0604481.0 [1,0,0,0,1,0|2,0,0]=4 385 B8R1.7 O=C(O)C1=CSC=C1 CNP0476270.0 [1,0,0,0,1,0|2,0,0]=4 386 B8R1.7 O=C(O)C1=CSC=N1 CNP0506854.0 [1,0,0,0,1,0|2,0,0]=4 387 B8R1.7 O=C(O)C1=NNC=C1 CNP0261181.0 [1,0,0,0,1,0|2,0,0]=4 388 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [1,0,0,0,1,0|1,0,1]=4 389 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [1,0,0,0,1,0|1,0,0]=3 390 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [1,0,0,0,1,0|1,0,1]=4 391 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [1,0,0,0,1,0|1,0,1]=4 392 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [1,0,0,0,1,0|2,0,0]=4 393 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [1,0,0,0,1,0|2,0,0]=4 394 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,0,0,0,0,2|2,0,0]=4