0 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,0,0,0,0,0|1,1,0]=2 5 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,0,0,0,0,0|3,1,0]=4 7 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,0,0,0,0|0,1,0]=1 9 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,0,0,0,0,0|1,1,0]=2 11 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,0,0,0,0,0|2,1,0]=3 12 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,0,0,0,0,0|2,1,0]=3 19 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,0,0,0,0,0|3,1,0]=4 21 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [0,0,0,0,0,0|3,0,1]=4 24 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,0,0,0,0,0|2,1,1]=4 25 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,0,0|0,0,2]=3 26 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,0,0|0,1,2]=4 27 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,0,0|0,0,0]=1 28 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,0,0|0,1,0]=2 29 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,0,0,0|1,0,2]=4 30 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,0,0|2,0,0]=3 32 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,0,0|1,1,0]=3 33 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,0,0|2,1,0]=4 36 B7R1.1 COC1=NC=CC1 CNP0549754.0 [1,0,0,0,0,0|1,1,1]=4 37 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,0,0|2,0,0]=3 38 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [1,0,0,0,0,0|2,0,1]=4 40 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [1,0,0,0,0,0|1,0,1]=3 41 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [1,0,0,0,0,0|1,1,1]=4 42 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,0,0|1,1,1]=4 43 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,0,0|0,1,1]=3 44 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,0,0|0,2,1]=4 45 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,0,0|0,1,0]=2 46 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,0,0|0,2,0]=3 47 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,0,0|2,1,0]=4 48 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,0,0|2,1,0]=4 49 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,0,0|0,0,0]=1 50 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,0,0|0,1,0]=2 51 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,1,0,0,0,0|2,0,1]=4 53 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.7 ON=CC1=CC=C(O1)Br CNP0165465.0 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,1,0,0,0,0|1,0,1]=3 62 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,1,0,0,0,0|1,1,1]=4 63 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,1,0,0,0,0|2,1,0]=4 64 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,1,0,0,0,0|1,1,1]=4 65 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,1,0,0,0,0|0,1,1]=3 66 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,1,0,0,0,0|0,0,1]=2 67 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,1,0,0,0,0|1,0,0]=2 71 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,1,0,0,0,0|0,1,0]=2 76 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,1,0,0,0,0|0,0,0]=1 77 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,1,0,0,0,0|0,0,0]=1 79 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,1,0,0,0,0|1,0,2]=4 80 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,1,0,0,0,0|1,0,1]=3 81 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,1,0,0,0,0|0,1,1]=3 82 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,1,0,0,0,0|0,0,1]=2 83 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,1,0,0,0,0|1,0,0]=2 84 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,1,0,0,0,0|1,1,0]=3 86 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,1,0,0,0,0|2,1,0]=4 87 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,1,0,0,0,0|2,1,0]=4 88 B9R1.33 CSSC1=C(OC=C1)C CNP0370281.0 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,1,0,0,0|2,0,1]=4 91 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,1,0,0,0|2,0,1]=4 92 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,1,0,0,0|2,0,0]=3 93 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,1,0,0,0|1,0,2]=4 94 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,0,1,0,0,0|1,0,2]=4 95 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,1,0,0,0|1,0,0]=2 96 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,1,0,0,0|1,0,2]=4 97 B7R0.1 CCCC=CCCO CNP0287313.0 [0,0,1,0,0,0|1,0,2]=4 98 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,1,0,0,0|1,0,2]=4 99 B7R0.1 CCCCC=CCO CNP0191159.0 [0,0,1,0,0,0|1,0,2]=4 100 B7R0.1 CSCCCC=NO CNP0610383.0 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,0,1,0,0,0|1,0,2]=4 102 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,0,1,0,0,0|1,0,2]=4 103 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,0,1,0,0,0|1,0,2]=4 104 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,0,1,0,0,0|2,0,1]=4 106 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,0,0,1,0,0|1,1,0]=3 107 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,0,0,0,0,1|2,0,1]=4 108 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,0,0,0,0,1|2,0,1]=4 109 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,0,0,0,0,1|2,0,1]=4 110 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,0,0,0,0,1|2,0,1]=4 111 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,0,0,0,0,1|2,0,0]=3 112 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,0,0,0,0,1|2,0,0]=3 113 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,0,0,0,0,1|2,0,0]=3 114 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,0,0,0,0,1|2,0,0]=3 115 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,0,0,0,0,1|2,0,0]=3 116 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,0,0,0,0,1|3,0,0]=4 117 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,0,0,0,0,1|3,0,0]=4 118 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,0,0,0,0,1|3,0,0]=4 119 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,0,0,0,0,1|2,0,0]=3 120 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,0,0,0,0,1|1,1,0]=3 121 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,0,0,0,0,1|1,0,0]=2 122 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,0,0,0,0,1|2,0,0]=3 124 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [0,0,0,0,0,1|2,0,0]=3 125 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,0,0,0,0,1|3,0,0]=4 126 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,0,0,0,0,1|3,0,0]=4 127 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,0,0,0,0,1|3,0,0]=4 128 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,0,0,0,0,1|3,0,0]=4 129 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,0,0,0,0,1|3,0,0]=4 130 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,0,0,0,0,1|3,0,0]=4 131 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,0,0,0,0,1|2,0,0]=3 132 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,0,0,0,0,1|3,0,0]=4 133 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,0,0,0,0,1|3,0,0]=4 134 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|1,0,1]=4 135 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|1,0,0]=3 136 B6R0.6 C=COCCCC CNP0077236.0 [1,0,1,0,0,0|1,0,1]=4 137 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|0,0,2]=4 138 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|1,0,0]=3 139 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|0,0,2]=4 140 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|0,0,2]=4 141 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,0,1,0,0,0|0,0,2]=4 142 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,1,0,0,0|0,0,2]=4 143 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,1,0,0,0|0,0,2]=4 144 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,1,0,0,0|0,0,2]=4 145 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,1,0,0,0|0,0,2]=4 146 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,1,0,0,0|1,0,1]=4 147 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,1,0,0,0|0,0,2]=4 148 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,1,0,0,0|1,0,1]=4 149 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,0,1,0,0,0|1,1,0]=4 150 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,1,0,0,0|0,0,2]=4 151 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,0,1,0,0,0|1,0,1]=4 152 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,1,0,0,0|0,0,2]=4 153 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,1,0,0,0|0,0,2]=4 154 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,1,0,0,0|1,0,1]=4 155 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,0,1,0,0,0|0,0,2]=4 156 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [2,0,0,0,0,0|1,0,1]=4 157 B6R1.2 CC1=CC=CN1 CNP0003130.0 [2,0,0,0,0,0|1,0,0]=3 158 B6R1.2 CC1=CC=CO1 CNP0204821.0 [2,0,0,0,0,0|0,0,0]=2 159 B6R1.2 CC1=CC=CS1 CNP0308280.0 [2,0,0,0,0,0|0,1,0]=3 160 B6R1.2 CC1=CN=CN1 CNP0175437.0 [2,0,0,0,0,0|2,0,0]=4 161 B6R1.2 CC1=CN=CS1 CNP0003129.0 [2,0,0,0,0,0|1,1,0]=4 162 B6R1.2 CC1=CNC=C1 CNP0578230.0 [2,0,0,0,0,0|2,0,0]=4 163 B6R1.2 CC1=CNC=N1 CNP0484047.0 [2,0,0,0,0,0|2,0,0]=4 164 B6R1.2 CC1=COC=C1 CNP0401605.0 [2,0,0,0,0,0|2,0,0]=4 165 B6R1.2 CC1=CSC=C1 CNP0153726.0 [2,0,0,0,0,0|2,0,0]=4 166 B6R1.2 CC1=CSC=N1 CNP0121199.0 [2,0,0,0,0,0|2,0,0]=4 167 B6R1.2 CC1=NC=CS1 CNP0611676.0 [2,0,0,0,0,0|1,1,0]=4 168 B6R1.2 CC1=NN=CO1 CNP0610339.0 [2,0,0,0,0,0|2,0,0]=4 169 B6R1.2 CN1C=CC=C1 CNP0084622.0 [2,0,0,0,0,0|2,0,0]=4 170 B6R1.2 O=C1C=CCO1 CNP0253714.0 [2,0,0,0,0,0|0,1,1]=4 171 B6R1.2 O=C1C=CNO1 CNP0275546.0 [2,0,0,0,0,0|1,1,0]=4 172 B6R1.2 O=C1C=COO1 CNP0482120.0 [2,0,0,0,0,0|1,1,0]=4 173 B6R1.2 O=C1CC=CO1 CNP0494071.0 [2,0,0,0,0,0|0,1,1]=4 174 B6R1.2 O=C1OC=CO1 CNP0585701.0 [2,0,0,0,0,0|1,1,0]=4 175 B6R1.2 OC1=CC=CO1 CNP0600093.0 [2,0,0,0,0,0|0,1,0]=3 176 B6R1.2 SC1=CC=CS1 CNP0113015.0 [2,0,0,0,0,0|0,1,0]=3 177 B6R1.2 SC1=CSC=C1 CNP0208450.0 [2,0,0,0,0,0|2,0,0]=4 178 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,1,0,0,0|1,0,1]=4 179 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,1,0,0,0|1,0,1]=4 181 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,1,1,0,0,0|1,0,0]=3 182 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,1,0,0,0|1,0,1]=4 183 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,1,0,0,0|1,0,1]=4 184 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,1,0,0,0|1,0,1]=4 185 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [1,1,0,0,0,0|0,1,1]=4 186 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [1,1,0,0,0,0|0,1,0]=3 187 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [1,1,0,0,0,0|0,0,0]=2 188 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [1,1,0,0,0,0|0,0,1]=3 189 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,1,0,0,0,0|1,0,1]=4 190 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,1,0,0,0,0|0,0,0]=2 191 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,1,0,0,0,0|0,1,0]=3 192 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [1,1,0,0,0,0|0,0,1]=3 193 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [1,1,0,0,0,0|1,1,0]=4 195 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [1,1,0,0,0,0|2,0,0]=4 196 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [1,1,0,0,0,0|1,1,0]=4 200 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [1,1,0,0,0,0|0,0,1]=3 202 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [1,1,0,0,0,0|0,0,0]=2 203 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,1,0,0,0,0|0,1,0]=3 204 B8R1.1 NCC1=CC(=NO1)O CNP0352634.0 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [1,1,0,0,0,0|0,1,1]=4 207 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [1,1,0,0,0,0|0,1,1]=4 208 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [1,1,0,0,0,0|1,0,1]=4 209 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [1,1,0,0,0,0|1,0,1]=4 210 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [1,1,0,0,0,0|0,0,1]=3 211 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [1,1,0,0,0,0|0,1,1]=4 212 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [1,1,0,0,0,0|1,0,1]=4 213 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [1,1,0,0,0,0|0,0,0]=2 214 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [1,1,0,0,0,0|0,0,0]=2 216 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [1,1,0,0,0,0|0,0,0]=2 218 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [1,1,0,0,0,0|0,1,1]=4 219 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [1,1,0,0,0,0|0,1,1]=4 220 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,1,0,0,0,0|1,0,1]=4 223 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,1,0,0,0,0|1,0,1]=4 224 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.52 CSC1(CC=CO1)C CNP0557096.0 [1,1,0,0,0,0|0,0,2]=4 226 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,1,0,0,0,1|2,0,0]=4 227 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [0,1,0,0,0,1|2,0,0]=4 228 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,1,0,0,0,1|1,1,0]=4 229 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,1,0,0,0,1|2,0,0]=4 230 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,1,0,0,0,1|2,0,0]=4 231 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,1,0,0,0,1|2,0,0]=4 232 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,1,0,0,0,1|2,0,0]=4 233 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,1,0,0,0,1|1,1,0]=4 234 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,1,0,0,0,1|2,0,0]=4 235 B10R1.10 CC=CC1=CC=CC(=O)O1 CNP0113670.0 [0,1,0,0,0,1|1,0,1]=4 236 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,1,0,0,0,1|2,0,0]=4 237 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,1,0,0,0,1|2,0,0]=4 238 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [0,1,0,0,0,1|1,0,0]=3 239 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,0,0,1|1,0,1]=4 240 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,0,0,1|1,0,1]=4 241 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [0,1,0,0,0,1|2,0,0]=4 242 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [0,1,0,0,0,1|2,0,0]=4 243 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [0,1,0,0,0,1|2,0,0]=4 244 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [0,1,0,0,0,1|2,0,0]=4 245 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [0,1,0,0,0,1|2,0,0]=4 246 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [0,1,0,0,0,1|2,0,0]=4 247 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [0,1,0,0,0,1|1,1,0]=4 248 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [0,1,0,0,0,1|1,0,1]=4 249 B10R1.15 CS[S@+]([O-])C1=CC=CC=N1 CNP0536900.1 [0,1,0,0,0,1|2,0,0]=4 250 B10R1.15 CS[S@H+]([O-])C1=CC=CC=N1 CNP0548879.1 [0,1,0,0,0,1|2,0,0]=4 251 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [0,1,0,0,0,1|2,0,0]=4 252 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [0,1,0,0,0,1|2,0,0]=4 253 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [0,1,0,0,0,1|2,0,0]=4 254 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [0,1,0,0,0,1|2,0,0]=4 255 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [0,1,0,0,0,1|2,0,0]=4 256 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [0,1,0,0,0,1|2,0,0]=4 257 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [0,1,0,0,0,1|2,0,0]=4 258 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [0,1,0,0,0,1|1,1,0]=4 259 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [0,1,0,0,0,1|1,0,0]=3 260 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [0,1,0,0,0,1|2,0,0]=4 261 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [0,1,0,0,0,1|2,0,0]=4 262 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [0,1,0,0,0,1|1,1,0]=4 263 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [0,1,0,0,0,1|1,1,0]=4 264 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [0,1,0,0,0,1|1,1,0]=4 265 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [0,1,0,0,0,1|1,0,0]=3 266 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [0,1,0,0,0,1|1,0,0]=3 267 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [0,1,0,0,0,1|1,0,1]=4 268 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [0,1,0,0,0,1|2,0,0]=4 269 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [0,1,0,0,0,1|2,0,0]=4 270 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [0,1,0,0,0,1|1,0,0]=3 271 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,1,0,0,0,1|2,0,0]=4 272 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,1,0,0,0,1|2,0,0]=4 273 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,1,0,0,0,1|2,0,0]=4 274 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,1,0,0,0,1|2,0,0]=4 275 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,1,0,0,0,1|2,0,0]=4 276 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,1,0,0,0,1|2,0,0]=4 277 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [0,1,0,0,0,1|2,0,0]=4 278 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,1,0,0,0,1|2,0,0]=4 279 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,1,0,0,0,1|2,0,0]=4 280 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,1,0,0,0,1|2,0,0]=4 281 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,1,0,0,0,1|1,0,1]=4 282 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,1,0,0,0,1|1,0,1]=4 283 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [0,2,0,0,0,0|1,0,0]=3 284 B10R1.54 CC(=O)CC1=CC=C(O1)C CNP0609799.0 [0,2,0,0,0,0|1,0,0]=3 285 B10R1.96 COCC1=CC=C(N1)C=O CNP0285722.0 [0,2,0,0,0,0|1,1,0]=4 286 B10R1.96 COCC1=CC=C(O1)C=O CNP0331819.0 [0,2,0,0,0,0|0,1,0]=3 287 B10R1.96 COCC1=CC=C(O1)CO CNP0227446.0 [0,2,0,0,0,0|0,1,0]=3 288 B10R1.130 CCCC1=C(N=C(O1)C)C CNP0300414.0 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.131 CCCC1=NC(=C(O1)C)C CNP0002747.0 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.131 COCC1=CC(=C(N1)Br)Br CNP0260156.0 [0,2,0,0,0,0|1,1,0]=4 291 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,2,0,0,0,0|1,0,0]=3 292 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,2,0,0,0,0|1,1,0]=4 293 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,2,0,0,0,0|0,1,1]=4 294 B10R1.23 CC(=O)C(=O)C1=CC=CO1 CNP0137174.0 [0,2,0,0,0,0|1,0,1]=4 295 B10R1.23 CC(C)C(=O)C1=CC=CO1 CNP0536429.0 [0,2,0,0,0,0|1,0,1]=4 296 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,2,0,0,0,0|0,1,1]=4 297 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [0,2,0,0,0,0|1,0,0]=3 299 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,2,0,0,0,0|1,0,0]=3 300 B10R1.21 CCCCCC1=CC=CS1 CNP0094840.0 [0,2,0,0,0,0|1,1,0]=4 301 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.27 CC(=CC1=CC=CO1)C=O CNP0085269.0 [0,2,0,0,0,0|1,0,1]=4 304 B10R1.27 CCC(=O)CC1=CC=CO1 CNP0611998.0 [0,2,0,0,0,0|1,0,0]=3 305 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,2,0,0,0,0|1,0,1]=4 306 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,2,0,0,0,0|0,1,0]=3 307 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,2,0,0,0,0|0,0,0]=2 308 B10R1.66 CC(C)SCC1=CC=CO1 CNP0002931.0 [0,2,0,0,0,0|0,0,0]=2 309 B10R1.64 CC(=O)CC1=C(C=CO1)C CNP0076562.0 [0,2,0,0,0,0|1,0,0]=3 310 B10R1.281 C[N+](C)(C)CC1=CC=CO1 CNP0606756.0 [0,2,0,0,0,0|1,0,0]=3 311 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,1,1,0,0|1,0,1]=4 312 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,1,1,0,0|1,0,1]=4 313 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,1,1,0,0|2,0,0]=4 314 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,0,1,1,0,0|2,0,0]=4 315 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,1,1,0,0|1,0,1]=4 316 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,1,1,0,0|2,0,0]=4 317 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [0,0,0,1,0,1|1,1,0]=4 318 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [0,0,0,1,0,1|1,1,0]=4 319 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,0,0,1,0,1|2,0,0]=4 320 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,0,0,1,0,1|2,0,0]=4 321 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,0,0,1,0,1|1,1,0]=4 322 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [0,0,0,1,0,1|2,0,0]=4 323 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,1|2,0,0]=4 324 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,1|2,0,0]=4 325 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,1|2,0,0]=4