0 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,0,0,0,0,0|2,1,0]=3 18 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,0,0,0,0,0|3,1,0]=4 19 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,0,0,0,0,0|3,1,0]=4 20 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,0,0,0,0,0|0,1,0]=1 22 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,0,0,0,0,0|0,0,0]=0 24 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,0,0,0,0,0|3,0,1]=4 26 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|1,0,0]=2 33 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|1,1,0]=3 36 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|1,1,0]=3 37 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|0,1,0]=2 38 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|0,0,0]=1 40 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,0,0,0,0,0|2,1,0]=4 58 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,0,0,0,0,0|1,1,0]=3 65 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,0,0,0,0,0|0,0,0]=1 66 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,0,0,0,0,0|2,1,0]=4 69 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,0,0,0,0,0|2,1,0]=4 70 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,1,0,0,0,0|3,0,0]=4 72 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,1,0,0,0,0|2,1,0]=4 73 B10R1.4 C=CCC1=NC=CN=C1C CNP0026370.0 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.4 CC=CC1=NC=CN=C1C CNP0073358.0 [0,1,0,0,0,0|1,0,0]=2 75 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,1,0,0,0,0|2,1,0]=4 78 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,1,0,0,0,0|0,1,0]=2 79 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,1,0,0,0,0|2,1,0]=4 82 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [0,1,0,0,0,0|1,0,0]=2 83 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [0,1,0,0,0,0|0,1,0]=2 84 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,1,0,0,0,0|2,1,0]=4 87 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [0,1,0,0,0,0|1,0,1]=3 90 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,1,0,0,0,0|2,1,0]=4 93 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,1,0,0,0,0|2,1,0]=4 94 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,1,0,0,0,0|0,1,0]=2 95 B10R1.30 C=CC1=NC(=CN=C1C)C CNP0270709.0 [0,1,0,0,0,0|1,0,1]=3 96 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,1,0,0,0,0|1,0,0]=2 100 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,1,0,0,0,0|2,1,0]=4 101 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,1,0,0,0,0|0,1,0]=2 102 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,1,0,0,0,0|0,0,0]=1 103 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.61 CC(=O)C1=NC=CN=C1C CNP0253592.0 [0,1,0,0,0,0|1,0,0]=2 107 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,1,0,0,0,0|1,1,1]=4 113 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,1,0,0,0,0|2,1,0]=4 114 B8R0.20 CSC(=NN)C(=NN)N CNP0478752.0 [0,0,1,0,0,0|3,0,0]=4 115 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,0,0,1,0,0|2,0,1]=4 116 B10R2.7 C1=CC2=NC=CN=C2C1 CNP0002558.0 [0,0,0,1,0,0|1,0,1]=3 117 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,0,0,1,0,0|3,0,0]=4 118 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,0,0,1,0,0|3,0,0]=4 119 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,0,0,1,0,0|2,1,0]=4 120 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,0,0,1,0,0|3,0,0]=4 121 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [0,0,0,1,0,0|3,0,0]=4 122 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,0|2,0,0]=3 123 B10R2.7 C1=CN=C2NC=NC2=N1 CNP0404111.0 [0,0,0,1,0,0|2,0,1]=4 124 B10R2.7 C1=CN=C2NN=CC2=N1 CNP0367897.0 [0,0,0,1,0,0|2,0,1]=4 125 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|3,0,0]=4 126 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|3,0,0]=4 127 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [0,0,0,0,1,0|2,0,1]=4 128 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,0,0,0,1,0|3,0,0]=4 129 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,0,0,0,1,0|3,0,0]=4 130 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,0,0,0,1,0|2,0,0]=3 131 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,0,0,0,1,0|2,0,0]=3 132 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,0,0,0,1,0|1,0,0]=2 133 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|2,0,0]=4 134 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.10 CC(=NO)C(=NO)C CNP0126463.0 [1,0,1,0,0,0|2,0,0]=4 137 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|2,0,0]=4 138 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 139 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 140 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 141 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|2,0,0]=4 142 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|0,0,0]=2 143 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 144 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 145 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [2,0,0,0,0,0|0,1,1]=4 146 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,1,0]=4 147 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,1,0]=4 148 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|2,0,0]=4 149 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [1,1,0,0,0,0|1,0,1]=4 151 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [1,1,0,0,0,0|2,0,0]=4 152 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|1,0,0]=3 155 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [1,1,0,0,0,0|0,1,0]=3 156 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [1,1,0,0,0,0|0,0,0]=2 157 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [1,1,0,0,0,0|1,0,1]=4 158 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|0,1,0]=3 163 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,1,0,0,0,0|0,0,0]=2 164 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [1,1,0,0,0,0|2,0,0]=4 165 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,1,0,0,0,0|1,0,0]=3 166 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [1,1,0,0,0,0|1,0,0]=3 169 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,1,0,0,0,0|1,0,0]=3 171 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,1,0,0,0,0|1,0,0]=3 172 B9R1.6 NC(=O)C1=CN=CC=N1 CNP0559029.0 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,1,0,0,0,0|1,0,0]=3 176 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,1,0,0,0,0|1,1,0]=4 180 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,1,0,0,0,0|1,0,0]=3 183 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [1,1,0,0,0,0|2,0,0]=4 188 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [1,1,0,0,0,0|2,0,0]=4 189 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,1,0,0,0,0|1,0,0]=3 192 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,1,0,0,0,0|1,1,0]=4 193 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,1,0,0,0,0|2,0,0]=4 194 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [1,1,0,0,0,0|0,0,0]=2 199 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [1,1,0,0,0,0|0,1,1]=4 200 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,1,0,0,1,0|2,0,0]=4 201 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [0,1,0,0,1,0|2,0,0]=4 202 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [0,1,0,0,1,0|2,0,0]=4 203 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [0,1,0,0,1,0|2,0,0]=4 204 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,1,0,0,1,0|1,0,0]=3 205 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,1,0,0,1,0|2,0,0]=4 206 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,1,0,0,1,0|2,0,0]=4 207 B9R1.33 CC1=C(SC=N1)CCCl CNP0572414.0 [0,1,0,0,1,0|2,0,0]=4 208 B9R1.33 CC1=C(SC=N1)CCO CNP0408975.0 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.33 CSSC1=C(OC=C1)C CNP0370281.0 [0,1,0,0,1,0|1,0,0]=3 210 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,1,0,0,1,0|2,0,0]=4 211 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,1,0,0,1,0|2,0,0]=4 212 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,1,0,0,1,0|2,0,0]=4 213 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [0,2,0,0,0,0|1,0,0]=3 214 B11R1.81 C=CCC1=NC=C(N=C1C)C CNP0134147.0 [0,2,0,0,0,0|1,0,1]=4 215 B11R1.81 CC=CC1=NC=C(N=C1C)C CNP0185639.0 [0,2,0,0,0,0|1,0,0]=3 216 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [0,2,0,0,0,0|1,0,0]=3 217 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,2,0,0,0,0|1,0,0]=3 218 B11R1.182 C=CCC1=NC(=CN=C1C)C CNP0014529.0 [0,2,0,0,0,0|1,0,1]=4 219 B11R1.182 CC=CC1=NC(=CN=C1C)C CNP0002579.0 [0,2,0,0,0,0|1,0,0]=3 220 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [0,2,0,0,0,0|1,0,0]=3 221 B11R1.222 COC(=O)C1=CC=CN=C1C CNP0485999.0 [0,2,0,0,0,0|1,1,0]=4 222 B11R1.37 C=CC1=NC=C(N=C1CC)C CNP0003041.0 [0,2,0,0,0,0|1,0,1]=4 223 B11R1.37 CCC1=NC=C(N=C1CC)C CNP0079896.0 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.53 CCC1=NC=CN=C1C(=O)C CNP0402270.0 [0,2,0,0,0,0|1,0,0]=3 225 B11R1.53 COC1=NC=CN=C1C(C)C CNP0108389.0 [0,2,0,0,0,0|0,1,0]=3 226 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [0,2,0,0,0,0|0,0,0]=2 227 B11R1.166 CC(=O)C1=NC=C(N=C1C)C CNP0361229.0 [0,2,0,0,0,0|1,0,0]=3 228 B11R1.277 CC1=NC(=C(N=C1C)CO)C CNP0075676.0 [0,2,0,0,0,0|2,0,0]=4 229 B11R1.277 CCC1=NC(=C(N=C1C)C)C CNP0342125.0 [0,2,0,0,0,0|1,0,0]=3 230 B11R1.279 CCC1=CN=C(C(=N1)C)CC CNP0165721.0 [0,2,0,0,0,0|1,0,0]=3 231 B11R1.167 CC(=O)C1=NC(=CN=C1C)C CNP0205737.0 [0,2,0,0,0,0|1,0,0]=3 232 B11R1.280 CCC1=CN=C(C(=N1)CC)C CNP0421668.0 [0,2,0,0,0,0|1,0,0]=3 233 B11R2.10 CC1=NC2=NC=CN=C2O1 CNP0001199.0 [0,1,0,1,0,0|1,1,0]=4 234 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,1,0,1,0,0|2,0,0]=4 235 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,1,0,1,0,0|1,0,0]=3 236 B11R2.1 CC1=C2N=CC=NC2=NO1 CNP0000955.0 [0,1,0,1,0,0|2,0,0]=4 237 B11R2.1 CC1=NOC2=NC=CN=C12 CNP0004082.0 [0,1,0,1,0,0|1,1,0]=4 238 B11R2.1 CC1C=CC2=NC=CN=C12 CNP0348713.0 [0,1,0,1,0,0|1,0,1]=4 239 B11R2.1 C[C@@H]1CCC2=NC=CN=C12 CNP0291703.1 [0,1,0,1,0,0|1,0,0]=3 240 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,1,0,1,0,0|2,0,0]=4 241 B11R2.36 CC1=CN=C2CCCC2=N1 CNP0296530.0 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|2,0,0]=4 243 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|2,0,0]=4 244 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|2,0,0]=4 245 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|2,0,0]=4 246 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|2,0,0]=4 247 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|0,1,1]=4 248 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|1,1,0]=4 249 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,1,0|0,1,1]=4 250 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|1,0,0]=3 251 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,0,0,0,1,0|1,0,0]=3 252 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,0,0,0,1,0|1,0,0]=3 253 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,0,1,0|1,0,0]=3 254 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,0,0,0,1,0|1,0,0]=3 255 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,0,1,0|1,0,0]=3 256 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [1,0,0,0,1,0|1,0,0]=3 257 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,0,0,0,1,0|2,0,0]=4 258 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,0,0,0,1,0|1,0,0]=3 259 B7R1.4 CN1C=CN=C1N CNP0308541.0 [1,0,0,0,1,0|2,0,0]=4 260 B7R1.4 CN1C=CN=C1S CNP0605467.0 [1,0,0,0,1,0|1,0,0]=3 261 B7R1.4 CN1N=NN=C1S CNP0474600.0 [1,0,0,0,1,0|2,0,0]=4