0 B10R0.71 C=CCCCCCCCCC 5902AF [0,0,0,0,0,0|1,0,1]=2 1 B10R0.71 CCCCCOCCCCC 5775AF [0,0,0,0,0,0|2,0,0]=2 2 B10R0.71 CCNCCCNCCCO 7934AC [0,0,0,0,0,0|2,0,0]=2 3 B10R0.71 CCNCCCNCCOC 7929AC [0,0,0,0,0,0|4,0,0]=4 4 B10R0.71 CNCCCNCCCOC 7939AC [0,0,0,0,0,0|4,0,0]=4 5 B10R0.71 COCCOCCOCCBr 3260AL [0,0,0,0,0,0|4,0,0]=4 6 B10R0.71 NCCCCCCCCCN Z3509 [0,0,0,0,0,0|2,0,0]=2 7 B10R0.71 OCCCCCCCCCS 0647AQ [0,0,0,0,0,0|1,0,0]=1 8 B10R0.71 OCCNCCCNCCO 1272AA [0,0,0,0,0,0|3,0,0]=3 9 B10R0.71 OCCOCCCOCCO 0227AQ [0,0,0,0,0,0|3,0,0]=3 10 B10R0.71 SCCSCCCSCCS 5965AL [0,0,0,0,0,0|3,1,0]=4 11 B9R0.45 CC#CCCCCCCC 5746AF [1,0,0,0,0,0|0,0,2]=3 12 B9R0.45 CCCCC#CCCCO 6762AB [1,0,0,0,0,0|0,0,2]=3 13 B9R0.45 CCCCCCCCSC 8241AL [1,0,0,0,0,0|1,0,0]=2 14 B9R0.45 CCCCCCCC[Mg]Br 8938AJ [1,0,0,0,0,0|2,0,0]=3 15 B9R0.45 CCCCCCCNCC P111 [1,0,0,0,0,0|1,0,0]=2 16 B9R0.45 CCCCNCCCCO 3911AE [1,0,0,0,0,0|1,0,0]=2 17 B9R0.45 CCCC\C=C/CCCC 7453AL [1,0,0,0,0,0|0,0,2]=3 18 B9R0.45 CCCNCCCNCC 7924AC [1,0,0,0,0,0|2,0,0]=3 19 B9R0.45 CNCCCNCCCO 7933AC [1,0,0,0,0,0|2,0,0]=3 20 B9R0.45 CNCCCNCCOC 7927AC [1,0,0,0,0,0|3,0,0]=4 21 B9R0.45 C\C=C/CCCCCCC 7421AL [1,0,0,0,0,0|0,0,2]=3 22 B9R0.45 NCCCCNCCCN 7713AH [1,0,0,0,0,0|3,0,0]=4 23 B11R0.3 C=CCOCCCCCCCC 7032AL [0,1,0,0,0,0|1,0,1]=3 24 B11R0.3 CCCCCCCNCCCN 7233AE [0,1,0,0,0,0|1,0,0]=2 25 B11R0.3 CCCCCC\C=C\C=C\CO 5340AL [0,1,0,0,0,0|0,0,3]=4 26 B11R0.3 CCCCCSSCCCCC 7728AL [0,1,0,0,0,0|2,0,0]=3 27 B11R0.3 CCCCNCCNCCCC 2606AE [0,1,0,0,0,0|2,0,0]=3 28 B11R0.3 CCC\C=C\CCCCCCC Y0126 [0,1,0,0,0,0|1,0,1]=3 29 B11R0.3 CCNCCCCCCNCC 8428AL [0,1,0,0,0,0|2,0,0]=3 30 B11R0.3 CCNCCCNCCCOC 7940AC [0,1,0,0,0,0|2,0,0]=3 31 B11R0.3 SCCCCCCCCCCS 4345AL [0,1,0,0,0,0|0,1,0]=2 32 B11R0.4 CCCCCCCC(O)CCC 6706AL [0,1,0,0,0,0|1,0,0]=2 33 B11R0.4 CCNC(=O)CCNCCCO 7932AC [0,1,0,0,0,0|2,0,1]=4 34 B11R0.4 CCOC(=O)CCNCCCO 8074AC [0,1,0,0,0,0|2,0,1]=4 35 B11R0.4 CCOC(=O)NCCCCCO 7138AD [0,1,0,0,0,0|2,0,1]=4 36 B11R0.40 CCCCCCCCC(=O)NN 0539AE [0,1,0,0,0,0|2,0,1]=4 37 B11R0.40 CCCCCCCCC(O)CC 6165AL [0,1,0,0,0,0|1,0,0]=2 38 B11R0.40 CCCCCCCC[C@@H](O)CO O013 [0,1,0,0,0,0|0,0,0]=1 39 B11R0.40 CCCCCCCNC(=O)CBr 5387AE [0,1,0,0,0,0|2,0,1]=4 40 B11R0.148 CCCCCCCCCC(N)=O 7564AL [0,1,0,0,0,0|0,0,2]=3 41 B11R0.148 CCCCCCCCOC(=O)Cl 7369AL [0,1,0,0,0,0|1,0,2]=4 42 B11R0.148 CCCCCCC\C=C/C(=O)O Z1707 [0,1,0,0,0,0|0,0,3]=4 43 B11R0.148 CCCCCC\C=C\CC(=O)O 6032AL [0,1,0,0,0,0|0,0,3]=4 44 B11R1.4 CCCCCOC1CCNC1 1719AD [0,0,0,1,0,0|3,0,0]=4 45 B11R1.4 CCCCOCC1CCNC1 2315AD [0,0,0,1,0,0|3,0,0]=4 46 B11R1.4 N#CCCNCC1CCCO1 Y4627 [0,0,0,1,0,0|2,0,1]=4 47 B11R1.4 NCCCNCC1CCCO1 2682AF [0,0,0,1,0,0|2,0,0]=3 48 B11R1.4 OCCC#CCN1CCCC1 2820AL [0,0,0,1,0,0|1,0,2]=4 49 B11R1.17 C[C@H]1COCCN1CCCCl 1162AA [0,0,0,1,0,0|3,0,0]=4 50 B11R1.18 NCCCN1CCCC1CO 1447AF [0,0,0,1,0,0|2,0,0]=3 51 B11R1.28 CCCCCC1CCCCC1 8653AL [0,0,0,1,0,0|1,0,0]=2 52 B11R1.28 CCCCOC1CCCNC1 4087AF [0,0,0,1,0,0|3,0,0]=4 53 B11R1.28 CCCCOC1CCNCC1 3978AE [0,0,0,1,0,0|3,0,0]=4 54 B11R1.28 CNCCCN1CCCCC1 3413AC [0,0,0,1,0,0|3,0,0]=4 55 B11R1.28 ClCCCCN1CCOCC1 0655AQ [0,0,0,1,0,0|3,0,0]=4 56 B11R1.28 NCCCCN1CCCCC1 9076AE [0,0,0,1,0,0|2,0,0]=3 57 B11R1.28 NCCOCC1CCCCC1 6761AD [0,0,0,1,0,0|2,0,0]=3 58 B11R1.28 OCCCCC1CCNCC1 0254AB [0,0,0,1,0,0|1,0,0]=2 59 B11R1.28 OCCCCN1CCCCC1 6389AB [0,0,0,1,0,0|1,0,0]=2 60 B11R1.28 OCCCCN1CCCCC1 8682AC [0,0,0,1,0,0|1,0,0]=2 61 B11R1.41 CCC1CCCCN1CCN 7503AD [0,0,0,1,0,0|2,0,0]=3 62 B11R1.101 O=C1CCCCCCCCC1 7516AA [0,0,0,1,0,0|0,0,2]=3 63 B11R1.203 NCCCN1CCCCCC1 5292AH [0,0,0,1,0,0|2,0,0]=3 64 B8R0.4 C=CCCCCCCC 8130AF [2,0,0,0,0,0|0,0,2]=4 65 B8R0.4 CCC#CCCCCC 6141AL [2,0,0,0,0,0|0,0,2]=4 66 B8R0.4 CCCCCCCCC 8936AJ [2,0,0,0,0,0|0,0,0]=2 67 B8R0.4 CCCCCCCSC 8022AL [2,0,0,0,0,0|1,0,0]=3 68 B8R0.4 CCCNCCCNC 4534AE [2,0,0,0,0,0|2,0,0]=4 69 B8R0.4 CCC\C=C/CCCC 7450AL [2,0,0,0,0,0|0,0,2]=4 70 B8R0.4 CNCCCCCCO 4396AE [2,0,0,0,0,0|1,0,0]=3 71 B8R0.4 COCCCCCOC 4651AL [2,0,0,0,0,0|2,0,0]=4 72 B8R0.4 C\C=C\CCCCCC 9212AL [2,0,0,0,0,0|0,0,2]=4 73 B8R0.4 NCCCNCCCO 2647AE [2,0,0,0,0,0|2,0,0]=4 74 B10R0.4 CCCCCCOCC(=O)O 8556AB [1,1,0,0,0,0|1,0,1]=4 75 B10R0.4 O=C(O)CCCCCCCS 0512AQ [1,1,0,0,0,0|1,0,1]=4 76 B10R0.74 CCCCCCCC(=O)CC 5762AF [1,1,0,0,0,0|0,0,1]=3 77 B12R0.1 CCOC(=O)CCCCCCCCl 1248AA [0,2,0,0,0,0|1,0,1]=4 78 B12R0.5 CCCCCCCCCCCCN 6054AF [0,2,0,0,0,0|1,0,0]=3 79 B12R0.5 CCCCCCSCCCCCC 7731AL [0,2,0,0,0,0|1,0,0]=3 80 B12R0.5 N#CCCCCCCCCCC#N 5887AF [0,2,0,0,0,0|1,0,1]=4 81 B12R0.234 CC(C)OCCOCCOCCO 8112AL [0,2,0,0,0,0|2,0,0]=4 82 B12R0.234 CCCCCCCCCOC(=O)Cl 7370AL [0,2,0,0,0,0|0,0,2]=4 83 B12R0.234 CCCCCCCC\C=C\C(=O)O 5804AL [0,2,0,0,0,0|0,0,2]=4 84 B12R0.248 CCCCCCCCCC(=O)CC 6039AF [0,2,0,0,0,0|1,0,0]=3 85 B12R0.248 CCCCCCCCCC(=O)NN 6928AD [0,2,0,0,0,0|0,0,2]=4 86 B12R0.4 CCCCCCCC(=O)CC(C)C 5720AL [0,2,0,0,0,0|1,0,1]=4 87 B12R0.251 CCCCCCCCC(N)C(=O)O X5391 [0,2,0,0,0,0|0,0,1]=3 88 B12R0.119 CCCCCCCCCP(=O)(O)O 8646AL [0,2,0,0,0,0|1,0,0]=3 89 B10R1.4 CCCC1CCCCC1=O 8126AF [1,0,0,1,0,0|0,0,2]=4 90 B10R1.4 CN1CCCCC1CCO 7565AB [1,0,0,1,0,0|1,0,0]=3 91 B10R1.17 BrCCCN1CCCCC1 4930AJ [1,0,0,1,0,0|2,0,0]=4 92 B10R1.17 C#CCCC1CCCCC1 2709AL [1,0,0,1,0,0|0,0,2]=4 93 B10R1.17 CCCCC1CCNCC1 W4771 [1,0,0,1,0,0|1,0,0]=3 94 B10R1.17 CCCNC1CCCCC1 1564AE [1,0,0,1,0,0|1,0,0]=3 95 B10R1.17 CCCNC1CCOCC1 6501AD [1,0,0,1,0,0|2,0,0]=4 96 B10R1.17 CCCOC1CCNCC1 1839AF [1,0,0,1,0,0|2,0,0]=4 97 B10R1.17 CCNCC1CCOCC1 2994AF [1,0,0,1,0,0|2,0,0]=4 98 B10R1.17 CNCCC1CCCCC1 1064AL [1,0,0,1,0,0|1,0,0]=3 99 B10R1.17 CNCCN1CCCCC1 5672AB [1,0,0,1,0,0|2,0,0]=4 100 B10R1.17 COCCC1CCCCN1 0883AF [1,0,0,1,0,0|2,0,0]=4 101 B10R1.17 COCCC1CCCNC1 4076AF [1,0,0,1,0,0|2,0,0]=4 102 B10R1.17 COCCC1CCNCC1 0968AC [1,0,0,1,0,0|2,0,0]=4 103 B10R1.17 NCCCC1CCCCC1 2801AF [1,0,0,1,0,0|1,0,0]=3 104 B10R1.17 NCCOC1CCCCC1 5274AJ [1,0,0,1,0,0|2,0,0]=4 105 B10R1.17 O=CCCC1CCCCC1 6024AB [1,0,0,1,0,0|0,0,2]=4 106 B10R1.17 OCCCC1CCCCN1 5623AJ [1,0,0,1,0,0|1,0,0]=3 107 B10R1.17 OCCCC1CCCNC1 1979AB [1,0,0,1,0,0|1,0,0]=3 108 B10R1.17 OCCOC1CCCCC1 5273AJ [1,0,0,1,0,0|1,0,0]=3 109 B10R1.20 CCN1CCCCC1CN 1974AE [1,0,0,1,0,0|2,0,0]=4 110 B10R1.20 CNC1CCCCC1NC W8000 [1,0,0,1,0,0|2,0,0]=4 111 B10R1.21 CCCCNC1CCCC1 8103AC [1,0,0,1,0,0|1,0,0]=3 112 B10R1.21 CCCCOC1CCNC1 4069AF [1,0,0,1,0,0|2,0,0]=4 113 B10R1.21 CCCOCC1CCNC1 4079AF [1,0,0,1,0,0|2,0,0]=4 114 B10R1.21 NCCCCN1CCCC1 1901AB [1,0,0,1,0,0|2,0,0]=4 115 B10R1.21 NCCOCC1CCCC1 1619AF [1,0,0,1,0,0|2,0,0]=4 116 B10R1.21 NCCOCC1CCCO1 1050AE [1,0,0,1,0,0|2,0,0]=4 117 B10R1.21 OCCCCN1CCCC1 5779AC [1,0,0,1,0,0|1,0,0]=3 118 B10R1.21 OCCOCC1CCCO1 6047AE [1,0,0,1,0,0|2,0,0]=4 119 B10R1.29 CCCCC1CCCC1=O 5846AC [1,0,0,1,0,0|0,0,2]=4 120 B10R1.85 ClCCN1CCCCCC1 3008AH [1,0,0,1,0,0|2,0,0]=4 121 B10R1.85 NCCC1CCCCCC1 3123AA [1,0,0,1,0,0|1,0,0]=3 122 B10R1.85 NCCN1CCCCCC1 W5245 [1,0,0,1,0,0|2,0,0]=4 123 B10R1.161 C=CC1CCCCCCC1 0210AQ [1,0,0,1,0,0|0,0,2]=4 124 B10R1.161 CNC1CCCCCCC1 W6069 [1,0,0,1,0,0|1,0,0]=3 125 B10R1.161 CNC1CCCCCCC1 Y1668 [1,0,0,1,0,0|1,0,0]=3 126 B12R1.8 BrCCCCOC1CCCCO1 V5110 [0,1,0,1,0,0|1,0,0]=3 127 B12R1.8 C#CCCCOC1CCCCO1 7021AE [0,1,0,1,0,0|0,0,2]=4 128 B12R1.8 CCCCCCC1CCCCC1 8054AL [0,1,0,1,0,0|1,0,0]=3 129 B12R1.8 CCCCCOC1CCCNC1 1965AD [0,1,0,1,0,0|2,0,0]=4 130 B12R1.8 CCCCCOC1CCNCC1 1796AD [0,1,0,1,0,0|2,0,0]=4 131 B12R1.8 CCCOCCC1CCCNC1 4098AF [0,1,0,1,0,0|2,0,0]=4 132 B12R1.8 CCNCCCN1CCCCC1 9500AE [0,1,0,1,0,0|2,0,0]=4 133 B12R1.8 CNCCCNC1CCCCC1 2838AF [0,1,0,1,0,0|2,0,0]=4 134 B12R1.8 CNCCOCC1CCCCO1 1706AF [0,1,0,1,0,0|1,0,0]=3 135 B12R1.8 COCCCOC1CCCNC1 1736AD [0,1,0,1,0,0|2,0,0]=4 136 B12R1.8 COCCCOC1CCNCC1 9918AE [0,1,0,1,0,0|2,0,0]=4 137 B12R1.8 COCCOCC1CCCNC1 1057AF [0,1,0,1,0,0|2,0,0]=4 138 B12R1.8 FCCOCCC1CCCCN1 1446AD [0,1,0,1,0,0|2,0,0]=4 139 B12R1.8 OCCCCNC1CCCCC1 9708AE [0,1,0,1,0,0|0,0,0]=2 140 B12R1.37 CCCCCCNC1CCCC1 6745AD [0,1,0,1,0,0|1,0,0]=3 141 B12R1.37 CCCCCOCC1CCNC1 1815AD [0,1,0,1,0,0|2,0,0]=4 142 B12R1.37 CNCCCNCC1CCCO1 7917AC [0,1,0,1,0,0|1,0,0]=3 143 B12R1.37 COCCCOCC1CCNC1 2099AD [0,1,0,1,0,0|2,0,0]=4 144 B12R1.37 COCCOCCC1CCNC1 2062AD [0,1,0,1,0,0|2,0,0]=4 145 B12R1.267 CCCCCC1CCCCC1=O 3601AB [0,1,0,1,0,0|0,0,1]=3 146 B12R1.372 CCCCCCN1CCCC1=O 3746AL [0,1,0,1,0,0|0,0,2]=4 147 B12R1.410 CNC1CCCCCCCCC1 2563AC [0,1,0,1,0,0|1,0,0]=3 148 B12R1.550 C1COCCNCCOCCN1 6260AL [0,1,0,1,0,0|2,0,0]=4 149 B12R1.1414 OCCCCN1CCCCCC1 9525AC [0,1,0,1,0,0|0,0,0]=2 150 B12R1.32 CN(CCO)CC1CCCCN1 2286AD [0,1,0,1,0,0|2,0,0]=4 151 B12R1.32 CN(CCO)CC1CCCNC1 1449AD [0,1,0,1,0,0|2,0,0]=4 152 B12R1.32 CN(CCO)CC1CCNCC1 2063AD [0,1,0,1,0,0|2,0,0]=4 153 B12R1.308 CCOC(=O)[C@@H]1CCCC[C@@H]1O 3220AL [0,1,0,1,0,0|1,0,1]=4 154 B12R1.27 NCC(O)COC1CCCCC1 2222AF [0,1,0,1,0,0|2,0,0]=4 155 B12R1.27 OC(CCl)CNC1CCCCC1 6670AE [0,1,0,1,0,0|2,0,0]=4 156 B12R1.1748 CC(CN)CN1CCCCCC1 2277AF [0,1,0,1,0,0|2,0,0]=4 157 B12R1.30 CN(CCCN)C1CCCCC1 8811AD [0,1,0,1,0,0|2,0,0]=4 158 B12R1.53 CCCCN(C)CC1CCCN1 1977AD [0,1,0,1,0,0|2,0,0]=4 159 B12R1.1631 CC1CCCC(C)N1CCCN 0843AF [0,1,0,1,0,0|2,0,0]=4 160 B12R1.75 CCC1CCCCN1CC(=O)O 1411AF [0,1,0,1,0,0|1,0,1]=4 161 B12R1.252 CC(C)OCCC1CCCCN1 1608AD [0,1,0,1,0,0|2,0,0]=4 162 B12R1.252 O=C(O)CCCC1CCNCC1 5167AC [0,1,0,1,0,0|1,0,1]=4 163 B12R1.252 O=C(O)CCCN1CCCCC1 5389AE [0,1,0,1,0,0|1,0,1]=4 164 B12R1.255 CN(C)CCNCC1CCCO1 3086AF [0,1,0,1,0,0|2,0,0]=4 165 B12R1.283 CC(C)N1CCCCC1CCN 3096AF [0,1,0,1,0,0|2,0,0]=4 166 B12R1.1343 CC(N)CCN1CCCCCC1 1345AF [0,1,0,1,0,0|2,0,0]=4 167 B12R1.1343 O=C(O)CCN1CCCCCC1 8884AE [0,1,0,1,0,0|1,0,1]=4 168 B12R1.1343 O=C(O)CNC1CCCCCC1 0138AF [0,1,0,1,0,0|1,0,1]=4 169 B12R1.1392 O=C(O)CN1CCCCCCC1 9969AE [0,1,0,1,0,0|1,0,1]=4 170 B12R2.2 C1CCC(C2CCCN2)CC1 V5531 [0,0,0,2,0,0|1,0,0]=3 171 B12R2.2 C1CCN(C2CCCC2)CC1 8946AE [0,0,0,2,0,0|2,0,0]=4 172 B12R2.7 O=C1CCCCC12CCCC2 3844AD [0,0,0,2,0,0|0,0,2]=4 173 B12R2.7 OC1CCCCC12NCCS2 2458AD [0,0,0,2,0,0|2,0,0]=4 174 B12R2.10 O[C@@H]1CCC[C@H]1N2CCCC2 3657AB [0,0,0,2,0,0|1,0,0]=3 175 B12R2.98 C1CNC(CN2CCCC2)C1 6583AD [0,0,0,2,0,0|2,0,0]=4 176 B12R2.2383 C1COC(CNCC2CC2)C1 1512AE [0,0,0,2,0,0|1,0,0]=3 177 B12R2.4328 C1CCCC2(CC1)NCCS2 1279AF [0,0,0,2,0,0|1,1,0]=4 178 B12R2.24 O=C1CCC2CCCCC2C1 0457AQ [0,0,0,2,0,0|0,0,2]=4 179 B12R2.1081 O=C1CCC[C@H]2CCCC[C@H]12 1390AQ [0,0,0,2,0,0|0,0,2]=4 180 B12R2.1081 OC1CCNC2CCCCC12 2858AF [0,0,0,2,0,0|1,0,0]=3 181 B12R2.2412 OC12CCCCC1CNCC2 2545AB [0,0,0,2,0,0|1,0,0]=3 182 B12R2.324 OCC1CCCN1CC2CC2 0216AF [0,0,0,2,0,0|1,0,0]=3 183 B12R2.527 O=C1CCCCCCC12CC2 4502AJ [0,0,0,2,0,0|0,0,2]=4 184 B12R2.2057 C1CCC(CNC2CC2)CC1 Y5742 [0,0,0,2,0,0|2,0,0]=4 185 B12R2.2057 C1CCC(NCC2CC2)CC1 4675AF [0,0,0,2,0,0|2,0,0]=4 186 B12R2.2057 C1CCC(NCC2CC2)CC1 4676AF [0,0,0,2,0,0|2,0,0]=4 187 B12R2.4370 C1CC2(CCN1)CNCCO2 4621AB [0,0,0,2,0,0|2,0,0]=4 188 B12R2.4370 C1CCC2(CC1)CCNCC2 9464AA [0,0,0,2,0,0|2,0,0]=4 189 B12R2.4370 C1CCC2(CCCCO2)OC1 0190AQ [0,0,0,2,0,0|1,0,0]=3 190 B12R2.4370 C1CCC2(CCNCC2)OC1 9957AH [0,0,0,2,0,0|1,0,0]=3 191 B12R2.4960 NCCC12CCCN1CCC2 2284AC [0,0,0,2,0,0|2,0,0]=4