0 B12R0.5 C#CC=CCCCCCCCCC CNP0168870.0 [0,0,0,0,0,0|1,0,3]=4 1 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [0,0,0,0,0,0|1,0,2]=3 2 B12R0.5 C=CC=CCCCCCCCCO CNP0306719.0 [0,0,0,0,0,0|2,0,2]=4 3 B12R0.5 C=CCCC=CCCCCCCC CNP0172346.0 [0,0,0,0,0,0|1,0,2]=3 4 B12R0.5 C=CCCCCCC=CC=CC=O CNP0223164.0 [0,0,0,0,0,0|0,0,2]=2 5 B12R0.5 CC=CC=CCCCCCCCO CNP0203441.0 [0,0,0,0,0,0|2,0,1]=3 6 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [0,0,0,0,0,0|1,0,3]=4 7 B12R0.5 CCC=CC=CCCCCCCO CNP0161971.0 [0,0,0,0,0,0|2,0,1]=3 8 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [0,0,0,0,0,0|1,0,3]=4 9 B12R0.5 CCCCC=CCCCCCCC CNP0586294.0 [0,0,0,0,0,0|1,0,3]=4 10 B12R0.5 CCCCCC=CCCC=CC=O CNP0168017.0 [0,0,0,0,0,0|0,0,4]=4 11 B12R0.5 CCCCCCC=CC=CC=CO CNP0355741.0 [0,0,0,0,0,0|0,0,2]=2 12 B12R0.5 CCCCCCC=CC=CCCO CNP0364661.0 [0,0,0,0,0,0|0,0,4]=4 13 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [0,0,0,0,0,0|0,0,4]=4 14 B12R0.5 CCCCCCCC=CC=CC=O CNP0081684.0 [0,0,0,0,0,0|0,0,0]=0 15 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [0,0,0,0,0,0|0,0,4]=4 16 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [0,0,0,0,0,0|0,0,2]=2 17 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [0,0,0,0,0,0|0,0,4]=4 18 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [0,0,0,0,0,0|0,0,4]=4 19 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [0,0,0,0,0,0|0,0,4]=4 20 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [0,0,0,0,0,0|1,0,3]=4 21 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [1,0,0,0,0,0|0,0,3]=4 22 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [1,0,0,0,0,0|0,0,3]=4 23 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,0,0,0,0,0|0,0,1]=2 24 B11R0.3 C=CCCCCC=CC=CC=O CNP0137973.0 [1,0,0,0,0,0|0,0,2]=3 25 B11R0.3 C=CCCCCCCC=CC=O CNP0200049.0 [1,0,0,0,0,0|0,0,3]=4 26 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [1,0,0,0,0,0|0,0,3]=4 27 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [1,0,0,0,0,0|0,0,1]=2 28 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,0,0,0,0,0|0,0,3]=4 29 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,0,0,0,0,0|0,0,3]=4 30 B11R0.3 CCCCCC=CCC=CC=O CNP0003106.0 [1,0,0,0,0,0|0,0,2]=3 31 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [1,0,0,0,0,0|0,0,0]=1 32 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [1,0,0,0,0,0|0,0,2]=3 33 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [1,0,0,0,0,0|0,0,1]=2 34 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [1,0,0,0,0,0|0,0,3]=4 35 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,0,0,0,0,0|1,0,2]=4 36 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,0,0,0,0,0|0,0,3]=4 37 B13R0.2 CCCCCCCC=CC(=O)OCC CNP0323878.0 [0,1,0,0,0,0|2,0,1]=4 38 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [0,1,0,0,0,0|0,0,3]=4 39 B13R0.54 CCCCCC=CC=CC=CC(=O)O CNP0003430.0 [0,1,0,0,0,0|0,0,2]=3 40 B13R0.54 CCCCCCC=CC=NNC(=O)N CNP0343057.0 [0,1,0,0,0,0|2,0,1]=4 41 B13R0.54 CCCCCCCC=CC=CC(=O)N CNP0402877.0 [0,1,0,0,0,0|0,0,0]=1 42 B13R0.54 CCCCCCCC=CC=CC(=O)O CNP0115107.0 [0,1,0,0,0,0|0,0,0]=1 43 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,1,0,0,0,0|0,0,2]=3 44 B13R0.54 CCCCCCCC=CCOC(=O)C CNP0123694.0 [0,1,0,0,0,0|1,0,1]=3 45 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,1,0,0,0,0|0,0,2]=3 46 B13R0.54 CCCCCCCCC=COC(=O)C CNP0501330.0 [0,1,0,0,0,0|1,0,1]=3 47 B13R0.54 CCCCCCCCC=NNC(=O)N CNP0224908.0 [0,1,0,0,0,0|2,0,1]=4 48 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,1,0,0,0,0|0,0,2]=3 49 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,1,0,0,0,0|0,0,2]=3 50 B13R0.147 CCCCCCC=CC=CC(=O)OC CNP0612143.0 [0,1,0,0,0,0|2,0,1]=4 51 B13R0.147 CCCCCCCC=CCC(=O)CC CNP0527148.0 [0,1,0,0,0,0|1,0,2]=4 52 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,1,0,0,0,0|2,0,1]=4 53 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [0,1,0,0,0,0|0,0,2]=3 54 B13R0.336 CCCCCC=CCC=CC=CC=O CNP0140048.0 [0,1,0,0,0,0|0,0,1]=2 55 B13R0.336 CCCCCCCCC=CC=CC=O CNP0133214.0 [0,1,0,0,0,0|0,0,0]=1 56 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [0,1,0,0,0,0|0,0,2]=3 57 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [0,1,0,0,0,0|0,0,2]=3 58 B13R1.28 C/C=C/C=C/C=C/[C@H]1CCCCN1 CNP0427551.1 [0,0,0,1,0,0|2,0,1]=4 59 B13R1.28 C/C=C/C=C/CC[C@H]1CCCCN1 CNP0433980.2 [0,0,0,1,0,0|2,0,1]=4 60 B13R1.28 C/C=C/C=C\CC[C@H]1CCCCN1 CNP0433980.1 [0,0,0,1,0,0|2,0,1]=4 61 B13R1.28 CCC=CCCCC1=CC=CC=N1 CNP0137989.0 [0,0,0,1,0,0|1,0,2]=4 62 B13R1.28 CCCCCCCC1=CC=CC=C1 CNP0084843.0 [0,0,0,1,0,0|1,0,0]=2 63 B13R1.28 CCCCCCCC1=CC=CC=N1 CNP0303732.0 [0,0,0,1,0,0|1,0,0]=2 64 B13R1.28 CCCCCCCC1=CC=CN=C1 CNP0003441.0 [0,0,0,1,0,0|2,0,0]=3 65 B13R1.28 OCCCCCCC1=CC=CC=C1 CNP0214808.0 [0,0,0,1,0,0|2,0,0]=3 66 B13R1.119 CCCCCCCCC1=CC=CN1 CNP0100849.0 [0,0,0,1,0,0|1,0,1]=3 67 B13R1.119 CCCCCCCCC1=CC=CO1 CNP0494414.0 [0,0,0,1,0,0|0,0,2]=3 68 B13R1.119 CCCCCCCCC1=CC=CS1 CNP0504932.0 [0,0,0,1,0,0|0,1,1]=3 69 B13R1.119 CCCCCCCCC1=CSC=C1 CNP0038967.0 [0,0,0,1,0,0|2,0,1]=4 70 B13R1.555 CCCCCCC1=CC=CC=C1C CNP0102963.0 [0,0,0,1,0,0|1,0,1]=3 71 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [2,0,0,0,0,0|0,0,1]=3 72 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [2,0,0,0,0,0|0,0,1]=3 73 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [2,0,0,0,0,0|0,0,2]=4 74 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [2,0,0,0,0,0|0,0,2]=4 75 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [2,0,0,0,0,0|0,0,2]=4 76 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [2,0,0,0,0,0|0,0,2]=4 77 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [2,0,0,0,0,0|0,0,2]=4 78 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [2,0,0,0,0,0|0,0,2]=4 79 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [2,0,0,0,0,0|0,0,0]=2 80 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [2,0,0,0,0,0|0,0,2]=4 81 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [2,0,0,0,0,0|0,0,2]=4 82 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [2,0,0,0,0,0|0,0,0]=2 83 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [2,0,0,0,0,0|0,0,2]=4 84 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [2,0,0,0,0,0|0,0,2]=4 85 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [2,0,0,0,0,0|1,0,1]=4 86 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [1,1,0,0,0,0|0,0,2]=4 87 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [1,1,0,0,0,0|1,0,1]=4 88 B12R0.234 CCCCCC/C=C/C=C/[C@H](C)N CNP0115359.1 [1,1,0,0,0,0|1,0,1]=4 89 B12R0.234 CCCCCC/C=C\C=C\[C@H](C)N CNP0115359.2 [1,1,0,0,0,0|1,0,1]=4 90 B12R0.234 CCCCCCC=CC=CC(C)C CNP0218670.0 [1,1,0,0,0,0|1,0,1]=4 91 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [1,1,0,0,0,0|0,0,1]=3 92 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [1,1,0,0,0,0|0,0,1]=3 93 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [1,1,0,0,0,0|1,0,1]=4 94 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [1,1,0,0,0,0|0,0,2]=4 95 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [1,1,0,0,0,0|1,0,1]=4 96 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [1,1,0,0,0,0|1,0,1]=4 97 B14R0.68 CC(=O)C=CC=CCCCCCC(=O)O CNP0372567.0 [0,2,0,0,0,0|1,0,1]=4 98 B14R0.68 CC(C)CCCCC=CCC=CC(=O)O CNP0293065.0 [0,2,0,0,0,0|0,0,2]=4 99 B14R0.68 CC(C)CCCCCCCC=CC(=O)O CNP0304027.0 [0,2,0,0,0,0|0,0,2]=4 100 B14R0.337 CCCCCCCC=CC=CC(=O)OC CNP0296655.0 [0,2,0,0,0,0|0,0,0]=2 101 B14R0.337 CCCCCCCCCC=CC(=O)OC CNP0281832.0 [0,2,0,0,0,0|0,0,2]=4 102 B14R0.394 CCCCCCCC/C=C/C=C/[C@@H](C)N CNP0266568.2 [0,2,0,0,0,0|1,0,1]=4 103 B14R0.394 CCCCCCCC/C=C/C=C/[C@H](C)N CNP0266568.1 [0,2,0,0,0,0|1,0,1]=4 104 B14R0.394 CCCCCCCC/C=C\C=C\[C@H](C)N CNP0266568.3 [0,2,0,0,0,0|1,0,1]=4 105 B14R0.394 CCCCCCCC=CC=CCC(=O)O CNP0547274.0 [0,2,0,0,0,0|0,0,0]=2 106 B14R0.394 CCCCCCCCC=CC=C[C@@H](C)N CNP0266568.4 [0,2,0,0,0,0|1,0,1]=4 107 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [0,2,0,0,0,0|0,0,2]=4 108 B14R0.392 C=CC=CC=CCCCCCCCC=O CNP0165312.0 [0,2,0,0,0,0|1,0,0]=3 109 B14R0.392 C=CC=CC=CCCCCCCCCO CNP0270756.0 [0,2,0,0,0,0|1,0,0]=3 110 B14R0.392 CC=CC=CC#CC=CCCCCCC CNP0116321.0 [0,2,0,0,0,0|1,0,1]=4 111 B14R0.392 CC=CC=CC=CC=CCCCCCC CNP0323160.0 [0,2,0,0,0,0|1,0,1]=4 112 B14R0.392 CC=CCC=CCCCCCCCC=O CNP0298520.0 [0,2,0,0,0,0|1,0,1]=4 113 B14R0.392 CC=CCC=CCCCCCCCCO CNP0324279.0 [0,2,0,0,0,0|1,0,1]=4 114 B14R0.392 CCC=CC=CCCCCCCCC=O CNP0104034.0 [0,2,0,0,0,0|1,0,1]=4 115 B14R0.392 CCC=CC=CCCCCCCCCO CNP0235014.0 [0,2,0,0,0,0|1,0,1]=4 116 B14R0.392 CCCCCCC=CC=CC=NNN=O CNP0335938.0 [0,2,0,0,0,0|1,0,1]=4 117 B14R0.392 CCCCCCCCC=CC=CCCO CNP0203966.0 [0,2,0,0,0,0|0,0,2]=4 118 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [0,2,0,0,0,0|0,0,2]=4 119 B14R0.392 CCCCCCCCCC=CC=CCO CNP0316670.0 [0,2,0,0,0,0|0,0,2]=4 120 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [0,2,0,0,0,0|0,0,2]=4 121 B12R1.8 CCCCCCC1=CC=CC=C1 CNP0276048.0 [1,0,0,1,0,0|0,0,1]=3 122 B12R1.8 CCCCCCC1=CC=CN=C1 CNP0002604.0 [1,0,0,1,0,0|1,0,1]=4 123 B12R1.8 CCCCOCC1=CC=CC=C1 CNP0003510.0 [1,0,0,1,0,0|1,0,1]=4 124 B12R1.8 OCCCCCC1=CC=CC=C1 CNP0367476.0 [1,0,0,1,0,0|1,0,1]=4 125 B12R1.37 CCCCCCCC1=CC=CN1 CNP0033331.0 [1,0,0,1,0,0|1,0,0]=3 126 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [1,0,0,1,0,0|0,0,1]=3 127 B12R1.45 CCCCCN1C=CC=C1C=O CNP0230031.0 [1,0,0,1,0,0|1,0,0]=3 128 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [1,0,0,1,0,0|1,0,1]=4 129 B12R1.267 CC1=C(CCCC1)CC=CC=O CNP0578416.0 [1,0,0,1,0,0|0,0,2]=4 130 B12R1.1410 CCCCC[C@H]1O[C@@H]1/C=C/C=O CNP0381655.1 [1,0,0,1,0,0|1,0,1]=4 131 B14R1.26 CCCCCC=CC1=CC=CC(=O)O1 CNP0123294.0 [0,1,0,1,0,0|0,0,2]=4 132 B14R1.26 CCCCCCCC1=CC=CC(=O)O1 CNP0355407.0 [0,1,0,1,0,0|0,0,0]=2 133 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [0,1,0,1,0,0|0,0,2]=4 134 B14R1.326 C[C@@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.2 [0,1,0,1,0,0|0,0,2]=4 135 B14R1.326 C[C@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.1 [0,1,0,1,0,0|0,0,2]=4 136 B14R1.774 CCCCCCC1=CC=C(C=C1O)O CNP0335495.0 [0,1,0,1,0,0|0,0,2]=4 137 B14R1.4408 O=C1CC=CCCCCCCCCO1 CNP0106632.0 [0,1,0,1,0,0|0,0,2]=4 138 B14R1.4408 O=C1CCCCCCCC=CCCO1 CNP0208635.0 [0,1,0,1,0,0|0,0,2]=4 139 B14R1.4408 O=C1CCCCCCCCC=CCO1 CNP0609723.0 [0,1,0,1,0,0|0,0,2]=4 140 B14R1.422 CC(C)CCCCCC1=CC=CC=C1 CNP0525810.0 [0,1,0,1,0,0|1,0,0]=3 141 B14R1.422 CC(C)CCOCCC1=CC=CC=C1 CNP0002392.0 [0,1,0,1,0,0|2,0,0]=4 142 B14R1.123 CCCCCCCCC1=CC=CN=C1 CNP0599221.0 [0,1,0,1,0,0|1,0,1]=4 143 B14R1.2348 CCCCCCC[C@H]1O[C@@H]1/C=C/C=O CNP0516639.1 [0,1,0,1,0,0|0,0,2]=4 144 B14R1.14 CCCCCCCC1=CC=C(C=C1)O CNP0506475.0 [0,1,0,1,0,0|1,0,0]=3 145 B14R1.14 CCCCCCCN1C=CC(=N)C=C1 CNP0026855.0 [0,1,0,1,0,0|2,0,0]=4 146 B14R1.14 CCCCCCOC1=CC=C(C=C1)O CNP0355656.0 [0,1,0,1,0,0|2,0,0]=4 147 B14R1.716 CCC(=O)CCCCC1=CC=CC=C1 CNP0547588.0 [0,1,0,1,0,0|1,0,1]=4 148 B14R1.716 CCC(O)CCCCC1=CC=CC=C1 CNP0576842.0 [0,1,0,1,0,0|1,0,0]=3 149 B14R1.716 COC(O)CCCCC1=CC=CC=C1 CNP0609221.0 [0,1,0,1,0,0|2,0,0]=4 150 B14R1.38 CCCCCCC(=O)C1=CC=CC=N1 CNP0317762.0 [0,1,0,1,0,0|1,0,1]=4 151 B14R1.169 CCCCCCCC(=O)C1=CC=CO1 CNP0373345.0 [0,1,0,1,0,0|0,0,1]=3 152 B14R1.169 CCCCCCOC(=O)C1=CC=CO1 CNP0002785.0 [0,1,0,1,0,0|1,0,1]=4 153 B14R2.6 C1=CN=C(C=N1)CC2CCCCC2 CNP0002934.0 [0,0,0,2,0,0|2,0,0]=4 154 B14R2.83 O=CC1=CC=CN1C[C@@H]2CCCO2 CNP0395026.1 [0,0,0,2,0,0|2,0,0]=4 155 B14R2.83 O=CC1=CC=CN1C[C@H]2CCCO2 CNP0395026.2 [0,0,0,2,0,0|2,0,0]=4