0 B11R1.28 C#CC#CCC1=CC=CC=C1 CNP0119313.0 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.28 CCCCCC1=CC=CC=N1 CNP0343431.0 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.28 CCCCCC1=CC=CN=C1 CNP0268691.0 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [0,0,0,0,0,0|2,0,1]=3 14 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [0,0,0,0,0,0|1,1,2]=4 15 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [0,0,0,0,0,0|1,1,1]=3 16 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [0,0,0,0,0,0|1,1,1]=3 17 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [0,0,0,0,0,0|2,1,0]=3 18 B11R1.28 S=C=NCCC1=CC=CC=C1 CNP0391669.0 [0,0,0,0,0,0|0,0,0]=0 19 B11R1.28 S=C=NCCC1=CCCCC1 CNP0576767.0 [0,0,0,0,0,0|0,0,4]=4 20 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|1,0,2]=4 25 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,0,0,0|0,0,2]=3 32 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,0,0,0|1,0,1]=3 37 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,0,0,0,0,0|1,0,1]=3 39 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,0,0,0,0,0|0,1,0]=2 43 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,0|0,1,1]=3 44 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,0|0,1,2]=4 45 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|1,1,1]=4 46 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,0,0,0|0,1,1]=3 47 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,0,0,0,0,0|1,1,1]=4 48 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,0|1,1,1]=4 49 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,0,0,0,0,0|0,1,1]=3 50 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,0,0,0,0,0|0,0,0]=1 51 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,0,0,0,0|1,0,2]=4 52 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,0,0,0,0,0|0,0,2]=3 53 B12R1.1 CCCCCC1=CC=C(C=C1)O CNP0317854.0 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.1 CNCCCC1=CC=C(C=C1)O CNP0135430.0 [0,1,0,0,0,0|3,0,0]=4 55 B12R1.1 COCCCC1=CC=C(C=C1)O CNP0164469.0 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.1 CONCCC1=CC=C(C=C1)O CNP0578444.0 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [0,1,0,0,0,0|0,1,2]=4 58 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.8 NCCCNCC1=CC=CC=C1 CNP0465061.0 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.8 O=COCCCC1=CC=CC=C1 CNP0314153.0 [0,1,0,0,0,0|1,1,1]=4 62 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [0,1,0,0,0,0|1,1,1]=4 63 B12R1.8 S=C=NCCCC1=CC=CC=C1 CNP0186955.0 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.8 S=CC=NCCC1=CC=CC=C1 CNP0092045.0 [0,1,0,0,0,0|0,0,1]=2 65 B12R1.8 S=CC=[N+]CCC1=CC=CC=C1 CNP0524152.0 [0,1,0,0,0,0|0,0,1]=2 66 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,1,0,0,0,0|1,1,1]=4 67 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 CNP0251473.1 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.32 CC(CC1=CC=CC=C1)NC=O CNP0077379.0 [0,1,0,0,0,0|0,1,2]=4 73 B12R1.32 CCCC(O)CC1=CC=CC=C1 CNP0005510.0 [0,1,0,0,0,0|2,0,1]=4 74 B12R1.32 CONC(C)CC1=CC=CC=C1 CNP0563867.0 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,1,0,0,0,0|0,1,2]=4 77 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,1,0,0,0,0|1,1,1]=4 78 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,1,0,0,0,0|0,1,2]=4 79 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,1,0,0,0,0|1,1,1]=4 80 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,0,1,0,0,0|2,0,1]=4 81 B12R2.1 NN=C1CCC2=CC=CC=C12 CNP0078710.0 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.1 O=NN1CCC2=CC=CC=C12 CNP0055308.0 [0,0,0,1,0,0|1,1,1]=4 83 B12R2.41 C1=CC=C2SCCCCC2=C1 CNP0497800.0 [0,0,0,1,0,0|1,0,2]=4 84 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,0,0,1,0,0|1,1,1]=4 85 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,0,0,1,0,0|0,1,2]=4 86 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,0,0,1,0,0|1,1,1]=4 87 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,0,0,1,0,0|0,1,1]=3 88 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,1,0,0,0|1,0,1]=4 89 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,2]=4 90 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,1]=3 91 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|1,0,1]=4 92 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|1,0,1]=4 93 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|1,0,1]=4 94 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,1]=4 95 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|1,0,1]=4 96 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|0,0,2]=4 97 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|1,0,1]=4 98 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|0,0,2]=4 100 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|0,0,2]=4 101 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|0,0,1]=3 102 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|1,0,1]=4 103 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,1,1]=4 104 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|0,1,0]=3 105 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|0,1,1]=4 106 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|1,1,0]=4 107 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [2,0,0,0,0,0|0,0,0]=2 108 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|0,0,1]=3 109 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,1,0,0,0,0|1,0,1]=4 110 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|0,0,2]=4 113 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|0,1,1]=4 115 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [1,1,0,0,0,0|0,0,0]=2 116 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [1,1,0,0,0,0|0,1,1]=4 117 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|0,1,1]=4 118 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|0,1,1]=4 121 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [1,1,0,0,0,0|0,0,2]=4 122 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [1,1,0,0,0,0|0,0,2]=4 123 B11R1.16 C[C@@H](N=C=S)C1=CC=CC=C1 CNP0391564.2 [1,1,0,0,0,0|0,0,0]=2 124 B11R1.16 C[C@H](N=C=S)C1=CC=CC=C1 CNP0391564.1 [1,1,0,0,0,0|0,0,0]=2 125 B11R1.16 O=C(N=C=S)C1=CC=CC=C1 CNP0536203.0 [1,1,0,0,0,0|0,0,1]=3 126 B11R1.16 OCC[C@@H](O)C1=CC=CC=C1 CNP0046660.2 [1,1,0,0,0,0|0,1,1]=4 127 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 CNP0046660.1 [1,1,0,0,0,0|0,1,1]=4 128 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 CNP0602353.1 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [1,1,0,0,0,0|0,1,1]=4 133 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.24 OCCCC1=CC=CC(=C1)O CNP0550685.0 [1,1,0,0,0,0|0,1,1]=4 135 B11R1.40 CC(CC1=CC=CC=C1)NN CNP0490406.0 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,1,0,0,0,0|0,0,2]=4 138 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [1,1,0,0,0,0|0,0,2]=4 139 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,1,0,0,0,0|0,1,1]=4 140 B11R1.40 N#C[C@H](O)CC1=CC=CC=C1 CNP0304006.1 [1,1,0,0,0,0|1,0,1]=4 141 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,1,0,0,0,0|0,1,1]=4 142 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,1,0,0,0,0|0,1,1]=4 143 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,1,0,0,0,0|0,1,1]=4 144 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,1,0,0,0,0|0,1,1]=4 145 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 CNP0254447.2 [1,1,0,0,0,0|0,1,1]=4 146 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 CNP0254447.1 [1,1,0,0,0,0|0,1,1]=4 147 B11R1.40 OC[C@@H](O)CC1=CC=CC=C1 CNP0380924.2 [1,1,0,0,0,0|0,1,1]=4 148 B11R1.40 OC[C@H](O)CC1=CC=CC=C1 CNP0380924.1 [1,1,0,0,0,0|0,1,1]=4 149 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [1,1,0,0,0,0|0,1,1]=4 150 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [1,1,0,0,0,0|0,1,1]=4 151 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [1,1,0,0,0,0|0,0,2]=4 153 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [1,1,0,0,0,0|0,1,1]=4 154 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [1,1,0,0,0,0|0,1,1]=4 155 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [1,1,0,0,0,0|0,0,2]=4 156 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [1,1,0,0,0,0|0,1,1]=4 157 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [1,1,0,0,0,0|0,1,1]=4 158 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [1,1,0,0,0,0|0,1,1]=4 159 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [1,1,0,0,0,0|1,1,0]=4 160 B13R1.371 COC1=CC=C(C=C1)C=CN=C=S CNP0267624.0 [0,2,0,0,0,0|0,0,2]=4 161 B13R1.28 S=C=NCCCCC1=CC=CC=C1 CNP0002690.0 [0,2,0,0,0,0|0,0,0]=2 162 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,1]=4 163 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [1,0,0,1,0,0|1,0,1]=4 164 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,1,1]=4 165 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|0,1,1]=4 166 B11R2.4 NC1C[C@H]1C2=CC=CC=C2 CNP0337465.1 [1,0,0,1,0,0|1,0,1]=4 167 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.2 [1,0,0,1,0,0|1,0,1]=4 168 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 CNP0337465.3 [1,0,0,1,0,0|1,0,1]=4 169 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|1,0,1]=4 170 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [1,0,0,1,0,0|1,0,1]=4 171 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [1,0,0,1,0,0|0,0,2]=4 172 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [1,0,0,1,0,0|1,0,1]=4 173 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [1,0,0,1,0,0|1,0,1]=4 174 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [1,0,0,1,0,0|1,0,1]=4 175 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [1,0,0,1,0,0|1,0,1]=4 176 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [1,0,0,1,0,0|1,0,1]=4 177 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [1,0,0,1,0,0|0,1,1]=4 178 B13R2.10 NC1=NCC(O1)C2=CC=CC=C2 CNP0519009.0 [0,1,0,1,0,0|0,1,1]=4 179 B13R2.10 S=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0144055.1 [0,1,0,1,0,0|0,0,2]=4 180 B13R2.10 S=C1NC[C@H](O1)C2=CC=CC=C2 CNP0144055.2 [0,1,0,1,0,0|0,0,2]=4 181 B13R2.10 SC1=NC[C@@H](O1)C2=CC=CC=C2 CNP0608607.1 [0,1,0,1,0,0|0,0,2]=4