0 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [0,0,0,0,0,0|0,0,2]=2 1 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [0,0,0,0,0,0|0,1,2]=3 2 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,0,0,0|0,0,0]=0 4 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,0,0,0|0,1,0]=1 5 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,0,0,0|1,0,2]=3 6 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,0,0,0,0,0|1,1,0]=2 9 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,0,0,0,0,0|1,0,3]=4 10 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.1 CCN1C=NN=C1 CNP0611862.0 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.1 COC1=NC=CC1 CNP0549754.0 [0,0,0,0,0,0|2,0,1]=3 15 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.1 ClCC1=NN=CO1 CNP0028184.0 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 N#CC1=CC=CN1 CNP0158491.0 [0,0,0,0,0,0|2,0,1]=3 18 B7R1.1 N#CC1=CC=CO1 CNP0171436.0 [0,0,0,0,0,0|1,0,1]=2 19 B7R1.1 N#CC1=CC=CS1 CNP0079372.0 [0,0,0,0,0,0|1,1,1]=3 20 B7R1.1 N#CC1=NNC=C1 CNP0017944.0 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,0,0,0|1,0,1]=2 23 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,0,0,0|1,1,1]=3 24 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,0,0,0|1,0,0]=1 28 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,0,0,0|1,1,0]=2 29 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,0,0,0|3,0,0]=3 31 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,0,0,0|1,0,0]=1 32 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,0,0,0|1,1,0]=2 33 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,0,0|1,0,1]=3 34 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,0,0,0|1,0,2]=4 35 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,0,0|1,0,0]=2 36 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,0,0|0,0,0]=1 37 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,0,0|0,1,0]=2 38 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,0,0,0|1,0,2]=4 39 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,0,0,0|0,1,2]=4 40 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,0,0,0|2,0,1]=4 41 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,0,0,0|1,1,1]=4 42 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,0,0|1,1,0]=3 44 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,0,0|2,1,0]=4 45 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,0,0|2,0,0]=3 47 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,0,0|3,0,0]=4 48 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,0,0,0|3,0,0]=4 53 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,0,0|1,1,0]=3 54 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,0,0,0|1,0,2]=4 55 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,0,0|2,0,0]=3 56 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,0,0,0|2,0,1]=4 57 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,0,0,0|0,1,2]=4 58 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,0,0|3,0,0]=4 60 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,0,0,0|2,0,1]=4 61 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,0,0,0|1,1,1]=4 63 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,0,0,0|1,1,1]=4 64 B6R1.2 N=C1NC=CN1 CNP0546499.0 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 N=C1NC=CS1 CNP0292445.0 [1,0,0,0,0,0|2,1,0]=4 66 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,0,0|3,0,0]=4 67 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,0,0|3,0,0]=4 68 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,0,0|2,1,0]=4 70 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,0,0|3,0,0]=4 71 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,0,0,0|2,0,1]=4 73 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,0,0,0|1,0,1]=3 74 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,0,0,0|2,0,0]=3 76 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,0,0,0|1,0,1]=3 78 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,0,0,0|2,0,0]=3 79 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,0,0|1,0,0]=2 80 B6R1.2 S=C1C=CSS1 CNP0140042.0 [1,0,0,0,0,0|2,1,0]=4 81 B6R1.2 S=S1NC=CO1 CNP0538348.0 [1,0,0,0,0,0|3,0,0]=4 82 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,0,0|1,1,0]=3 83 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,0,0,0|2,0,1]=4 85 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,0,0|1,0,1]=3 86 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,0,0,0|1,0,0]=2 87 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,0,0,0|1,0,0]=2 88 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,0,0,0|1,1,1]=4 89 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,0,0,0|1,0,2]=4 90 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,0,0|0,0,1]=2 91 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,0,0,0|1,0,1]=3 92 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,0,0|0,0,0]=1 93 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,0,0|0,1,0]=2 94 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,0,0,0|0,0,1]=2 95 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,0,0,0|1,0,0]=2 96 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,0,0,0|1,1,0]=3 97 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,0,0|1,0,0]=2 101 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,0,0,0|1,1,0]=3 102 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,0,0|1,0,0]=2 103 B8R1.1 CCC1=NN=C(S1)N CNP0587490.0 [0,1,0,0,0,0|2,1,0]=4 104 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,0,0,0|0,0,1]=2 105 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,0,0,0|0,0,3]=4 106 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,0,0,0|0,0,3]=4 107 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,1,0,0,0,0|2,1,0]=4 110 B8R1.1 COC1C=CC(=O)C1 CNP0529998.0 [0,1,0,0,0,0|2,0,1]=4 111 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,0,0|1,1,0]=3 113 B8R1.1 NCC1=CC(=NO1)O CNP0352634.0 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 NCC1=CC(=O)NO1 CNP0492109.0 [0,1,0,0,0,0|2,0,0]=3 115 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,0,0,0|3,0,0]=4 116 B8R1.1 O=C1C=CC(=N1)NO CNP0612038.0 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 O=C1C=CC(=NO)N1 CNP0272476.0 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,1,0,0,0,0|1,0,1]=3 120 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,1,0,0,0,0|1,0,1]=3 122 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,1,0,0,0,0|1,0,1]=3 123 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,1,0,0,0,0|0,0,1]=2 124 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,1,0,0,0,0|0,1,1]=3 125 B8R1.7 CC(=O)C1=CSC=C1 CNP0011841.0 [0,1,0,0,0,0|2,0,1]=4 126 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,1,0,0,0,0|1,0,1]=3 127 B8R1.7 CC(=O)C1=NC=CS1 CNP0309193.0 [0,1,0,0,0,0|1,1,1]=4 128 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,1,0,0,0,0|0,0,3]=4 129 B8R1.7 CC(=O)N1C=CC=C1 CNP0238192.0 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,0,0,0|0,0,0]=1 131 B8R1.7 CC(C)N1C=CC=C1 CNP0119007.0 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,0,0,0|0,0,0]=1 133 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,1,0,0,0,0|2,0,0]=3 134 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,0,0,0|0,0,0]=1 135 B8R1.7 NC(=O)C1=CC=CN1 CNP0365861.0 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,1,0,0,0,0|1,0,1]=3 139 B8R1.7 O=[N+]([O-])C1=CC=CS1 CNP0489740.0 [0,1,0,0,0,0|2,1,0]=4 140 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,1,0,0,0,0|0,0,1]=2 141 B8R1.8 C=CCN1C=CC=C1 CNP0126434.0 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,1,0,0,0,0|0,0,1]=2 143 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,0,0,0|0,0,0]=1 144 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,0,0,0|0,1,0]=2 145 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,1,0,0,0,0|1,1,0]=3 147 B8R1.8 CCOC1=NC=CS1 CNP0042215.0 [0,1,0,0,0,0|1,1,0]=3 148 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,0,0,0|0,0,0]=1 149 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,0,0,0|0,0,0]=1 150 B8R1.8 CSSC1=CC=CS1 CNP0077836.0 [0,1,0,0,0,0|1,1,0]=3 151 B8R1.8 N#CCC1=CC=CS1 CNP0035318.0 [0,1,0,0,0,0|0,1,1]=3 152 B8R1.8 NCCC1=CC=NN1 CNP0506107.0 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.8 NCCN1C=CN=C1 CNP0591028.0 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,1,0,0,0,0|0,0,1]=2 157 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,1,0,0,0,0|2,0,1]=4 158 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,1,0,0,0,0|2,0,1]=4 159 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,1,0,0,0,0|0,1,0]=2 160 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,1,0,0,0,0|2,0,0]=3 161 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,1,0,0,0,0|1,1,0]=3 162 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,1,0,0,0,0|2,0,0]=3 163 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [0,1,0,0,0,0|2,0,0]=3 164 B8R1.8 OCCN1C=CN=C1 CNP0563989.0 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,1,0,0,0,0|1,1,1]=4 167 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,0,0|1,1,1]=4 169 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,0,0,0|1,0,2]=4 170 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,0,0|1,0,0]=2 171 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,0,0,0|1,0,2]=4 173 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,0,0,0|1,0,1]=3 174 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,0,0,0|1,0,1]=3 175 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,0,0|2,0,1]=4 176 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.52 CSC1(CC=CO1)C CNP0557096.0 [0,1,0,0,0,0|1,0,2]=4 178 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [0,0,1,0,0,0|1,0,2]=4 179 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [0,0,1,0,0,0|1,0,2]=4 180 B6R0.1 C=CC=C(C)CO CNP0191364.0 [0,0,1,0,0,0|2,0,0]=3 181 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,0,1,0,0,0|0,0,2]=3 182 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,0,1,0,0,0|3,0,0]=4 183 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,1,0,0,0|1,0,2]=4 184 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,0,1,0,0,0|0,0,2]=3 185 B6R0.1 CC=CC(=O)OC CNP0003452.0 [0,0,1,0,0,0|1,0,2]=4 186 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,0,1,0,0,0|1,0,2]=4 187 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,0,1,0,0,0|1,0,2]=4 188 B6R0.1 COC(=O)C=CBr CNP0321764.0 [0,0,1,0,0,0|2,0,1]=4 189 B6R0.1 COC(=O)C=CI CNP0190700.0 [0,0,1,0,0,0|2,0,1]=4 190 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,1,0,0,0|1,0,1]=3 192 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,1,0,0,0|1,0,1]=3 193 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,1,0,0,0|1,0,2]=4 194 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,1,0,0,0|1,0,2]=4 195 B6R0.6 C=CCOCCO CNP0248950.0 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,1,0,0,0|0,1,2]=4 197 B6R0.6 C=COCCCC CNP0077236.0 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.6 CC#CC=CCO CNP0610509.0 [0,0,1,0,0,0|0,0,3]=4 199 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,1,0,0,0|0,0,2]=3 200 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,1,0,0,0|1,0,0]=2 201 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,1,0,0,0|0,0,2]=3 202 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,1,0,0,0|1,0,2]=4 203 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,1,0,0,0|2,0,1]=4 204 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,1,0,0,0|0,0,2]=3 205 B6R0.6 CC=CSC=CC CNP0002507.0 [0,0,1,0,0,0|0,1,2]=4 206 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,1,0,0,0|0,1,2]=4 207 B6R0.6 CC=CSSCC CNP0418756.0 [0,0,1,0,0,0|1,1,1]=4 208 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,1,0,0,0|0,0,2]=3 209 B6R0.6 CCC=C=CCC CNP0518397.0 [0,0,1,0,0,0|1,0,2]=4 210 B6R0.6 CCC=CCC#N CNP0106706.0 [0,0,1,0,0,0|1,0,2]=4 211 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,1,0,0,0|0,0,2]=3 212 B6R0.6 CCC=CCCC CNP0391454.0 [0,0,1,0,0,0|1,0,2]=4 213 B6R0.6 CCC=CCCO CNP0255718.0 [0,0,1,0,0,0|0,0,2]=3 214 B6R0.6 CCC=CN=C=S CNP0076586.0 [0,0,1,0,0,0|1,1,1]=4 215 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,1,0,0,0|0,0,2]=3 216 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,1,0,0,0|0,0,2]=3 217 B6R0.6 CCCC=CNO CNP0162409.0 [0,0,1,0,0,0|1,0,1]=3 218 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,1,0,0,0|0,0,2]=3 219 B6R0.6 CCCCC=NO CNP0149695.0 [0,0,1,0,0,0|1,0,2]=4 220 B6R0.9 C=CC(OC)OC CNP0324949.0 [0,0,1,0,0,0|1,0,2]=4 221 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [0,0,1,0,0,0|0,0,2]=3 222 B6R0.9 CC=C(C=O)CC CNP0086295.0 [0,0,1,0,0,0|2,0,1]=4 223 B6R0.9 CC=C(CC)CC CNP0246886.0 [0,0,1,0,0,0|1,0,2]=4 224 B6R0.9 CC=C(CC)CO CNP0059417.0 [0,0,1,0,0,0|2,0,1]=4 225 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,0,1,0|1,0,2]=4 226 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [0,0,0,0,0,1|2,0,0]=3 227 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [0,0,0,0,0,1|1,0,2]=4 228 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [0,0,0,0,0,1|1,0,2]=4 229 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [0,0,0,0,0,1|1,0,2]=4 230 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [0,0,0,0,0,1|1,0,2]=4 231 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,0,0,0,0,1|1,0,2]=4 232 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [0,0,0,0,0,1|1,0,2]=4 233 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,0,0,0,0,1|1,0,0]=2 234 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,0,0,0,0,1|1,0,0]=2 235 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,0,0,0,0,1|1,0,0]=2 236 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,0,0,1|1,0,2]=4 237 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,0,0,0,0,1|1,0,0]=2 238 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,0,0,0,0,1|0,1,2]=4 239 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [0,0,0,0,0,1|0,1,2]=4 240 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,0,0,1|1,0,2]=4 241 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,0,0,0,0,1|2,0,0]=3 242 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [0,0,0,0,0,1|2,0,0]=3 243 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [0,0,0,0,0,1|2,0,0]=3 244 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [0,0,0,0,0,1|2,0,0]=3 245 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [0,0,0,0,0,1|2,0,0]=3 246 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [0,0,0,0,0,1|2,0,0]=3 247 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [0,0,0,0,0,1|2,0,0]=3 248 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [0,0,0,0,0,1|2,0,0]=3 249 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [0,0,0,0,0,1|2,0,0]=3 250 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [0,0,0,0,0,1|2,0,0]=3 251 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [0,0,0,0,0,1|2,0,1]=4 254 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [0,0,0,0,0,1|2,0,1]=4 255 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [0,0,0,0,0,1|2,0,1]=4 256 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [0,0,0,0,0,1|2,0,0]=3 257 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [0,0,0,0,0,1|2,0,1]=4 261 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [0,0,0,0,0,1|2,0,1]=4 262 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [0,0,0,0,0,1|2,0,0]=3 267 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,0,0,0,0,1|2,0,0]=3 268 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [0,0,0,0,0,1|2,0,0]=3 269 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [0,0,0,0,0,1|2,0,0]=3 270 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [0,0,0,0,0,1|2,0,1]=4 271 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [0,0,0,0,0,1|2,0,0]=3 272 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [0,0,0,0,0,1|2,0,0]=3 273 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [0,0,0,0,0,1|2,0,0]=3 274 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [0,0,0,0,0,1|2,0,0]=3 275 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [0,0,0,0,0,1|2,0,0]=3 276 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [0,0,0,0,0,1|1,0,1]=3 277 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,1,0,0,0|1,0,1]=4 278 B5R0.1 C=CC=C(C)C CNP0130651.0 [1,0,1,0,0,0|1,0,0]=3 279 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,1,0,0,0|0,0,2]=4 280 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,0,1,0,0,0|1,0,1]=4 281 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,1,0,0,0|0,0,2]=4 282 B5R0.1 C=COC(=O)C CNP0003526.0 [1,0,1,0,0,0|1,0,0]=3 283 B5R0.1 C=COC(C)C CNP0491165.0 [1,0,1,0,0,0|0,0,2]=4 284 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,0,1,0,0,0|2,0,0]=4 285 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,1,0,0,0|0,0,2]=4 286 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,0,1,0,0,0|1,0,1]=4 287 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,1,0,0,0|0,0,2]=4 288 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,1,0,0,0|0,0,2]=4 289 B5R0.1 O=C(O)C=CBr CNP0310992.0 [1,0,1,0,0,0|2,0,0]=4 290 B5R0.1 O=C(O)C=CCl CNP0293481.0 [1,0,1,0,0,0|2,0,0]=4 291 B5R0.1 O=C(O)C=CI CNP0239582.0 [1,0,1,0,0,0|2,0,0]=4 292 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,1,0,0,0|0,0,2]=4 293 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,1,0,0,0|0,0,2]=4 294 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,1,0,0,0|0,0,0]=2 295 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,1,0,0,0|0,0,2]=4 296 B5R0.2 C=CCCCC CNP0264947.0 [1,0,1,0,0,0|0,0,2]=4 297 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,1,0,0,0|0,0,2]=4 298 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,1,0,0,0|1,0,1]=4 299 B5R0.2 C=CCSCC CNP0261096.0 [1,0,1,0,0,0|0,1,1]=4 300 B5R0.2 C=CSSCC CNP0003136.0 [1,0,1,0,0,0|1,1,0]=4 301 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,1,0,0,0|0,0,2]=4 302 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,1,0,0,0|1,0,0]=3 303 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,1,0,0,0|0,0,2]=4 304 B5R0.2 CC=CCCC CNP0419577.0 [1,0,1,0,0,0|0,0,2]=4 305 B5R0.2 CC=CCCO CNP0253382.0 [1,0,1,0,0,0|0,0,2]=4 306 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,1,0,0,0|1,0,1]=4 307 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,1,0,0,0|0,0,1]=3 308 B5R0.2 CCC=CCO CNP0239009.0 [1,0,1,0,0,0|0,0,1]=3 309 B5R0.2 CCC=CSC CNP0068372.0 [1,0,1,0,0,0|1,0,1]=4 310 B5R0.2 CCC=CSO CNP0458289.0 [1,0,1,0,0,0|1,0,0]=3 311 B5R0.2 CCCC=CO CNP0247153.0 [1,0,1,0,0,0|0,0,1]=3 312 B5R0.2 CCCC=NO CNP0071145.0 [1,0,1,0,0,0|1,0,1]=4 313 B5R0.2 CCCOC=O CNP0326097.0 [1,0,1,0,0,0|1,0,1]=4 314 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,1,0,0,0|1,0,1]=4 315 B5R0.2 OCC=CCO CNP0296138.0 [1,0,1,0,0,0|1,0,1]=4 316 B5R0.3 C=C(C#N)CC CNP0541651.0 [1,0,1,0,0,0|1,0,1]=4 317 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,1,0,0,0|1,0,0]=3 318 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,1,0,0,0|0,0,2]=4 319 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,1,0,0,0|0,0,1]=3 320 B5R0.3 C=CC(=O)OC CNP0217866.0 [1,0,1,0,0,0|1,0,1]=4 321 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,1,0,0,0|0,0,1]=3 322 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,1,0,0,0|0,0,1]=3 323 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,1,0,0,0|0,0,2]=4 324 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,1,0,0,0|1,0,1]=4 325 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,1,0,0,0|1,0,1]=4 326 B5R0.3 CCC(=O)OC CNP0166631.0 [1,0,1,0,0,0|1,0,1]=4 327 B5R1.1 C1=CCC=C1 CNP0588646.0 [2,0,0,0,0,0|1,0,0]=3 328 B5R1.1 C1=CCOC1 CNP0579994.0 [2,0,0,0,0,0|0,0,2]=4 329 B5R1.1 C1=CNC=C1 CNP0578490.0 [2,0,0,0,0,0|1,0,0]=3 330 B5R1.1 C1=CNC=N1 CNP0593616.0 [2,0,0,0,0,0|2,0,0]=4 331 B5R1.1 C1=CNN=C1 CNP0583187.0 [2,0,0,0,0,0|2,0,0]=4 332 B5R1.1 C1=COC=C1 CNP0601420.0 [2,0,0,0,0,0|0,0,0]=2 333 B5R1.1 C1=COCC1 CNP0540644.0 [2,0,0,0,0,0|0,0,2]=4 334 B5R1.1 C1=CON=C1 CNP0611744.0 [2,0,0,0,0,0|1,0,0]=3 335 B5R1.1 C1=CSC=C1 CNP0604134.0 [2,0,0,0,0,0|0,1,0]=3 336 B5R1.1 C1=CSC=N1 CNP0495876.0 [2,0,0,0,0,0|1,1,0]=4 337 B5R1.1 C1=C[N-]C=N1 CNP0495803.0 [2,0,0,0,0,0|2,0,0]=4 338 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,1,1,0,0,0|1,0,1]=4 339 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,1,1,0,0,0|2,0,0]=4 340 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [0,1,1,0,0,0|0,0,2]=4 341 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,1,0,0,0|0,0,2]=4 342 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,1,1,0,0,0|0,0,1]=3 343 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,1,0,0,0|0,0,2]=4 344 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,1,0,0,0|0,0,2]=4 345 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,1,1,0,0,0|0,0,2]=4 347 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,1,0,0,0|1,0,1]=4 348 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,1,0,0,0|0,0,2]=4 349 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,1,0,0,0|2,0,0]=4 350 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,1,0,0,0|0,0,2]=4 351 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,1,0,0,0|0,0,2]=4 352 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,1,0,0,0|0,0,2]=4 353 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,1,0,0,0|1,0,1]=4 354 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,1,0,0,0|1,0,1]=4 355 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,1,0,0,0|1,0,1]=4 356 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,1,0,0,0|1,0,1]=4 357 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,1,0,0,0|0,0,2]=4 358 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,1,0,0,0|1,0,1]=4 359 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,1,0,0,0|1,0,0]=3 360 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,1,0,0,0|1,0,1]=4 361 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,1,1,0,0,0|1,0,1]=4 362 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,1,1,0,0,0|1,0,1]=4 363 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,1,1,0,0,0|1,0,0]=3 364 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,1,1,0,0,0|0,0,2]=4 365 B7R0.1 CCC#CC=CCO CNP0417978.0 [0,1,1,0,0,0|0,0,2]=4 366 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,1,0,0,0|0,0,1]=3 367 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,1,1,0,0,0|1,0,0]=3 368 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,1,0,0,0|0,0,0]=2 369 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,1,1,0,0,0|0,0,2]=4 370 B7R0.1 CCC=CCCCO CNP0003503.0 [0,1,1,0,0,0|0,0,2]=4 371 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,1,1,0,0,0|0,0,0]=2 372 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,1,1,0,0,0|0,0,2]=4 373 B7R0.1 CCCC=CCCO CNP0287313.0 [0,1,1,0,0,0|0,0,2]=4 374 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,1,1,0,0,0|0,0,2]=4 375 B7R0.1 CCCCC=CCO CNP0191159.0 [0,1,1,0,0,0|0,0,2]=4 376 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,1,0,0,0|0,0,2]=4 377 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,1,0,0,0|1,0,1]=4 378 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,1,0,0,0|0,0,2]=4 379 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,1,0,0,0|0,0,2]=4 380 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,1,0,0,0|0,0,2]=4 381 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,1,0,0,0|0,0,2]=4 382 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,1,0,0,0|0,0,1]=3 383 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,1,0,0,0|0,0,2]=4 384 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,1,0,0,0|0,0,1]=3 385 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,1,0,0,0|0,0,2]=4 386 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,1,0,0,0|0,0,1]=3 387 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,1,0,0,0,0|0,0,1]=3 388 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,1,0,0,0,0|0,0,0]=2 389 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,1,0,0,0,0|0,1,0]=3 390 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,1,0,0,0,0|1,0,0]=3 391 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,1,0,0,0,0|1,0,1]=4 392 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,1,0,0,0,0|0,0,1]=3 393 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,1,0,0,0,0|1,0,1]=4 394 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [1,1,0,0,0,0|1,0,1]=4 395 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,1,0,0,0,0|1,0,0]=3 396 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,1,0,0,0,0|0,0,0]=2 397 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,1,0,0,0,0|0,1,0]=3 398 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,1,0,0,0,0|0,0,1]=3 399 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,1,0,0,0,0|2,0,0]=4 400 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,1,0,0,0,0|2,0,0]=4 401 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,1,0,0,0,0|1,0,0]=3 402 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,1,0,0,0,0|1,1,0]=4 403 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,1,0,0,0,0|2,0,0]=4 404 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [1,1,0,0,0,0|2,0,0]=4 405 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,1,0,0,0,0|0,0,0]=2 406 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,1,0,0,0,0|1,0,0]=3 407 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,1,0,0,0,0|0,1,0]=3 408 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,1,0,0,0,0|1,1,0]=4 409 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,1,0,0,0,0|2,0,0]=4 410 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [1,1,0,0,0,0|2,0,0]=4 411 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,1,0,0,0,0|1,0,0]=3 412 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,1,0,0,0,0|0,0,1]=3 413 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [1,1,0,0,0,0|0,0,2]=4 414 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [1,1,0,0,0,0|1,0,1]=4 415 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,1,0,0,0,0|2,0,0]=4 416 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,1,0,0,0,0|2,0,0]=4 417 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,1,0,0,0,0|1,0,0]=3 418 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [1,1,0,0,0,0|2,0,0]=4 419 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,1,0,0,0,0|0,0,0]=2 420 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,1,0,0,0,0|0,1,0]=3 421 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [1,1,0,0,0,0|0,0,2]=4 422 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,1,0,0,0,0|0,0,0]=2 423 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,1,0,0,0,0|1,0,0]=3 424 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,1,0,0,0,0|0,1,0]=3 425 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [1,1,0,0,0,0|1,1,0]=4 426 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,1,0,0,0,0|1,0,1]=4 427 B7R1.4 CC1=CN=CN1C CNP0283331.0 [1,1,0,0,0,0|2,0,0]=4 428 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,1,0,0,0,0|2,0,0]=4 429 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,1,0,0,0,0|2,0,0]=4 430 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,1,0,0,0,0|2,0,0]=4 431 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,1,0,0,0,0|2,0,0]=4 432 B7R1.4 O=C1OCC=C1O CNP0541078.0 [1,1,0,0,0,0|1,0,1]=4 433 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,1,0,0,0,0|1,0,0]=3 434 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [1,1,0,0,0,0|0,0,2]=4 435 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,1,0,0,0,1|2,0,0]=4 436 B9R1.1 CC1=CN=C(C=N1)CO CNP0207768.0 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,1,0,0,0,1|1,0,0]=3 438 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,1,0,0,0,1|1,0,0]=3 439 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,1,0,0,0,1|1,0,0]=3 440 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,1,0,0,0,1|1,0,0]=3 441 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,1,0,0,0,1|1,0,0]=3 442 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,1,0,0,0,1|1,0,0]=3 443 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [0,1,0,0,0,1|1,0,0]=3 444 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [0,1,0,0,0,1|2,0,0]=4 445 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,1,0,0,0,1|2,0,0]=4 449 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.1 CSC1=CN=C(C=N1)C CNP0168152.0 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,1,0,0,0,1|1,0,1]=4 454 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,1|2,0,0]=4 458 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,1|1,0,0]=3 459 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,1|1,0,0]=3 460 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,1|1,0,0]=3 461 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,1|1,0,0]=3 462 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,1,0,0,0,1|1,0,0]=3 463 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,1|1,0,0]=3 464 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,1|1,0,0]=3 465 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,1|1,0,0]=3 466 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,1,0,0,0,1|1,0,1]=4 480 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,1,0,0,0,1|1,0,1]=4 481 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [0,1,0,0,0,1|1,0,1]=4 482 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,1,0,0,0,1|1,0,1]=4 483 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,1,0,0,0,1|1,0,1]=4 484 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,1,0,0,0,1|1,0,1]=4 485 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,1,0,0,0,1|1,0,1]=4 486 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,1,0,0,0,1|1,0,1]=4 487 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,1,0,0,0,1|1,0,0]=3 488 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [0,1,0,0,0,1|1,0,0]=3 489 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [0,1,0,0,0,1|1,0,0]=3 490 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [0,1,0,0,0,1|1,0,0]=3 491 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [0,1,0,0,0,1|1,0,0]=3 492 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,1,0,0,0,1|1,0,0]=3 495 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,1,0,0,0,1|1,0,0]=3 496 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,1,0,0,0,1|1,0,0]=3 497 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,1,0,0,0,1|1,0,0]=3 498 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [0,1,0,0,0,1|1,0,1]=4 500 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [0,1,0,0,0,1|1,0,1]=4 501 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [0,1,0,0,0,1|1,0,1]=4 502 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [0,1,0,0,0,1|1,0,1]=4 503 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [0,1,0,0,0,1|1,0,0]=3 504 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [0,1,0,0,0,1|1,0,0]=3 505 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [0,1,0,0,0,1|1,0,0]=3 506 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [0,1,0,0,0,1|1,0,0]=3 507 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [0,1,0,0,0,1|1,0,0]=3 508 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [0,1,0,0,0,1|1,0,0]=3 509 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [0,1,0,0,0,1|1,0,0]=3 510 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [0,1,0,0,0,1|1,0,0]=3 511 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [0,1,0,0,0,1|1,0,0]=3 512 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [0,1,0,0,0,1|1,0,0]=3 513 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [0,1,0,0,0,1|1,0,0]=3 514 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.8 CSSC1=NC=CC=N1 CNP0077866.0 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [0,1,0,0,0,1|1,0,1]=4 518 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [0,1,0,0,0,1|1,0,1]=4 519 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [0,1,0,0,0,1|1,0,0]=3 520 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [0,1,0,0,0,1|1,0,1]=4 522 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [0,1,0,0,0,1|1,0,0]=3 523 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [0,1,0,0,0,1|2,0,0]=4 524 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [0,1,0,0,0,1|1,0,0]=3 525 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [0,1,0,0,0,1|1,0,0]=3 526 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,1|1,0,0]=3 530 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,1|1,0,0]=3 531 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,1|1,0,0]=3 532 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,1|1,0,0]=3 533 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,1|1,0,0]=3 534 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,1|1,0,0]=3 535 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,1|1,0,0]=3 536 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,1|1,0,0]=3 537 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,0,0,1|2,0,0]=4 538 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,1|2,0,0]=4 539 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,1|2,0,0]=4 540 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,1|2,0,0]=4 543 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,1|1,0,0]=3 545 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,1,0,0,0,1|1,0,1]=4 552 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.7 CC1=CC=C(O1)C=NO CNP0143047.0 [0,2,0,0,0,0|1,0,1]=4 556 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,2,0,0,0,0|1,0,1]=4 557 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,2,0,0,0,0|1,0,0]=3 558 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,2,0,0,0,0|2,0,0]=4 559 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,2,0,0,0,0|1,0,0]=3 560 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,2,0,0,0,0|1,0,0]=3 561 B9R1.7 CCOC1C=CC(=O)N1 CNP0590383.0 [0,2,0,0,0,0|1,0,1]=4 562 B9R1.7 CN1C=NC(=C1)CCN CNP0415799.0 [0,2,0,0,0,0|2,0,0]=4 563 B9R1.7 NCCC1=CN=C(N1)F CNP0610560.0 [0,2,0,0,0,0|2,0,0]=4 564 B9R1.7 NCCN1C=CC(=O)O1 CNP0169742.0 [0,2,0,0,0,0|1,0,0]=3 565 B9R1.7 O=C1C=CC(=CCO)O1 CNP0169626.0 [0,2,0,0,0,0|0,0,1]=3 566 B9R1.7 ON=CC1=CC=C(O1)Br CNP0165465.0 [0,2,0,0,0,0|1,0,1]=4 567 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [0,2,0,0,0,0|0,0,0]=2 568 B9R1.21 CCC1=CN=C(S1)CC CNP0055349.0 [0,2,0,0,0,0|1,1,0]=4 569 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [0,2,0,0,0,0|2,0,0]=4 570 B9R1.21 CCC1=CSC(=N1)CC CNP0002533.0 [0,2,0,0,0,0|1,1,0]=4 571 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,2,0,0,0,0|1,0,0]=3 572 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [0,2,0,0,0,0|1,0,1]=4 573 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,2,0,0,0,0|2,0,0]=4 574 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,2,0,0,0,0|1,0,0]=3 575 B9R1.21 OCC1=CC=C(O1)CO CNP0279400.0 [0,2,0,0,0,0|1,0,0]=3 576 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,2,0,0,0,0|1,0,1]=4 577 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,2,0,0,0,0|1,0,1]=4 578 B9R1.22 CCC1=C(N=C(O1)C)C CNP0002748.0 [0,2,0,0,0,0|1,0,0]=3 579 B9R1.22 CCC1=C(N=C(S1)C)C CNP0002546.0 [0,2,0,0,0,0|1,1,0]=4 580 B9R1.22 CCC1=C(OC(=N1)C)C CNP0331848.0 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.22 CCC1=C(SC(=N1)C)C CNP0002547.0 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.22 O=C1C=C(C(=CBr)O1)Br CNP0402367.0 [0,2,0,0,0,0|1,0,1]=4 583 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [0,2,0,0,0,0|1,0,1]=4 584 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [0,2,0,0,0,0|1,0,1]=4 585 B9R1.23 CCC1=NC(=C(O1)C)C CNP0177649.0 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.23 CCC1=NC(=C(S1)C)C CNP0002548.0 [0,2,0,0,0,0|1,1,0]=4 587 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [0,2,0,0,0,0|1,0,1]=4 588 B9R1.35 CC(=O)C1=CC(=CO1)C CNP0138284.0 [0,2,0,0,0,0|0,0,1]=3 589 B9R1.35 CC(=O)C1=CC=C(O1)C CNP0316616.0 [0,2,0,0,0,0|0,0,1]=3 590 B9R1.35 CC(=O)C1=CC=C(S1)C CNP0184768.0 [0,2,0,0,0,0|0,1,1]=4 591 B9R1.35 CC(=O)C1=CN=C(O1)C CNP0541227.0 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [0,2,0,0,0,0|1,0,1]=4 593 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [0,2,0,0,0,0|2,0,0]=4 594 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [0,2,0,0,0,0|1,0,1]=4 595 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [0,2,0,0,0,0|0,0,1]=3 596 B9R1.35 CC1=CC=C(O1)C(=O)O CNP0084070.0 [0,2,0,0,0,0|1,0,1]=4 597 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [0,2,0,0,0,0|0,0,0]=2 598 B9R1.35 CC1=COC(=C1)C(=O)O CNP0234380.0 [0,2,0,0,0,0|1,0,1]=4 599 B9R1.35 CC1=CSC(=N1)C(C)C CNP0165450.0 [0,2,0,0,0,0|1,1,0]=4 600 B9R1.35 CC1=NC(=CS1)C(C)C CNP0015302.0 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.35 C[C@@H](O)C1=CC(=O)CC1 CNP0072529.1 [0,2,0,0,0,0|1,0,1]=4 602 B9R1.35 C[C@@H](O)[C@H]1C=CC(=O)O1 CNP0131918.2 [0,2,0,0,0,0|0,0,1]=3 603 B9R1.35 C[C@H](O)[C@H]1C=CC(=O)O1 CNP0131918.1 [0,2,0,0,0,0|0,0,1]=3 604 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,2,0,0,0,0|1,0,1]=4 605 B9R1.35 O=[N+]([O-])C1=CC=C(O1)Br CNP0568973.0 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.125 C[C@@]1(C=CC(=O)O1)CO CNP0110252.1 [0,2,0,0,0,0|1,0,1]=4 607 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,2,0,0,0,0|1,0,1]=4 608 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,2,0,0,0,0|0,1,0]=3 609 B9R1.132 CCC1=C(C(=N)CC1)O CNP0002638.0 [0,2,0,0,0,0|1,0,1]=4 610 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,2,0,0,0,0|1,0,1]=4 611 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.133 CCC1=CC(C=C1)(C)C CNP0076201.0 [0,2,0,0,0,0|1,0,1]=4 613 B9R1.11 CC(=NO)C1=CC=CN1 CNP0158738.0 [0,2,0,0,0,0|1,0,1]=4 614 B9R1.11 CC(=NO)C1=CC=CS1 CNP0182466.0 [0,2,0,0,0,0|0,1,1]=4 615 B9R1.11 CC(CN)C1=CN=CN1 CNP0517286.0 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,2,0,0,0,0|1,0,0]=3 617 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,2,0,0,0,0|0,0,0]=2 618 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,2,0,0,0,0|0,1,0]=3 619 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,2,0,0,0,0|1,1,0]=4 620 B9R1.11 CC[C@@H](C)C1=NC=CS1 CNP0384217.1 [0,2,0,0,0,0|1,1,0]=4 621 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,2,0,0,0,0|1,0,1]=4 622 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,2,0,0,0,0|0,0,1]=3 623 B9R1.11 CSC(=O)C1=CC=CO1 CNP0002776.0 [0,2,0,0,0,0|0,0,1]=3 624 B9R1.11 NNC(=O)C1=CC=CO1 CNP0223197.0 [0,2,0,0,0,0|1,0,1]=4 625 B9R1.11 O=C(CO)C1=CC=CO1 CNP0312445.0 [0,2,0,0,0,0|0,0,1]=3 626 B9R1.11 OC[C@@H](O)C1=CC=CO1 CNP0178385.1 [0,2,0,0,0,0|0,0,0]=2 627 B9R1.19 CC(C)(C)C1=CC=CS1 CNP0063130.0 [0,2,0,0,0,0|0,1,0]=3 628 B9R1.19 CC(C)(C)C1C=CC=C1 CNP0354096.0 [0,2,0,0,0,0|1,0,1]=4 629 B9R1.19 CC(C)(C)N1C=CC=C1 CNP0216114.0 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,2,0,0,0,0|0,0,1]=3 631 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,2,0,0,0,0|0,0,1]=3 632 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,2,0,0,0,0|0,1,1]=4 633 B9R1.41 CC(=O)C1=CC=CN1C CNP0231933.0 [0,2,0,0,0,0|1,0,1]=4 634 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,2,0,0,0,0|1,0,1]=4 635 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,2,0,0,0,0|0,0,0]=2 636 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,2,0,0,0,0|1,0,0]=3 637 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.12 CCCCN1C=CC=C1 CNP0209337.0 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,2,0,0,0,0|0,0,0]=2 641 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,2,0,0,0,0|0,0,0]=2 642 B9R1.12 CNCCC1=CN=CN1 CNP0485741.0 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.12 CSSCC1=CC=CO1 CNP0002883.0 [0,2,0,0,0,0|0,0,0]=2 644 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,2,0,0,0,0|0,0,2]=4 645 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [0,2,0,0,0,0|0,0,1]=3 646 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [0,2,0,0,0,0|0,0,1]=3 647 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [0,2,0,0,0,0|0,0,1]=3 648 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,2,0,0,0,0|0,0,0]=2 649 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,2,0,0,0,0|0,0,1]=3 650 B9R1.13 CC(C)CC1=CC=CS1 CNP0326007.0 [0,2,0,0,0,0|0,1,0]=3 651 B9R1.13 CC(C)CC1=NC=CS1 CNP0300517.0 [0,2,0,0,0,0|1,1,0]=4 652 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,2,0,0,0,0|0,1,1]=4 653 B9R1.33 CC1=C(N=CO1)CCO CNP0137493.0 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.33 CC1=C(SC=N1)CCCl CNP0572414.0 [0,2,0,0,0,0|1,1,0]=4 655 B9R1.33 CC1=C(SC=N1)CCO CNP0408975.0 [0,2,0,0,0,0|1,1,0]=4 656 B9R1.33 CN1C=NC=C1CCN CNP0407447.0 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [0,2,0,0,0,0|2,0,0]=4 658 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [0,2,0,0,0,0|2,0,0]=4 659 B9R1.14 O=CC1=C(C=CO1)CO CNP0587007.0 [0,2,0,0,0,0|1,0,1]=4 660 B9R1.24 CCC1=CC=CC1(C)C CNP0109712.0 [0,2,0,0,0,0|1,0,0]=3 661 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,2,0,0,0,0|2,0,0]=4 662 B9R1.27 CCN1C(=O)C=CC1=O CNP0447617.0 [0,2,0,0,0,0|2,0,0]=4 663 B9R1.204 CCC1(CC=CO1)C=O CNP0526133.0 [0,2,0,0,0,0|0,0,2]=4 664 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,1,1,0,0|1,0,0]=3 665 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,1,1,0,0|0,0,2]=4 666 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,1,1,0,0|0,0,2]=4 667 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,1,1,0,0|0,0,2]=4 668 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,1,1,0,0|1,0,0]=3 669 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [0,0,1,1,0,0|0,0,2]=4 670 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [0,0,1,1,0,0|1,0,1]=4 671 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [0,0,1,1,0,0|1,0,1]=4 672 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,1,1,0,0|0,0,2]=4 673 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,1,1,0,0|1,0,1]=4 674 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,1,1,0,0|0,0,2]=4 675 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,1,1,0,0|0,0,2]=4 676 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,1,1,0,0|0,0,2]=4 677 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,1,1,0,0|1,0,1]=4 678 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,1,1,0,0|1,0,0]=3 679 B7R2.13 C1=CC2=C(C2)O1 CNP0583093.0 [1,0,0,1,0,0|0,0,0]=2 680 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,1|1,0,0]=3 681 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,1|1,0,0]=3 682 B9R2.2 C1=CSC(=C1)C2CC2 CNP0419636.0 [0,1,0,1,0,0|0,1,0]=3