0 B8R1.2 BrC[C@H]1CCCCO1 N11991 [0,0,0,0,0,0|1,0,0]=1 1 B8R1.2 CC[C@H]1CCCNC1 N10050 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 CC[C@H]1CNCCN1 77624 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.2 CC[C@H]1CNCCO1 S12054 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 COC1=CCCCC1 D87534 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.2 COC1CCCCC1 D91594 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 CO[C@H]1CCCNC1 37170 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 FC[C@H]1CCCNC1 D76585 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 NC[C@H]1COCCO1 F10419 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.2 NOC1CCCCC1 97660 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 O=C[C@@H]1CCCCN1 D87999 [0,0,0,0,0,0|1,0,2]=3 11 B8R1.2 O=C[C@H]1CCCNC1 D87810 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.2 OCC1CCNCC1 P19521 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.2 OC[C@H]1CNCCN1 D76640 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.2 OC[C@H]1CNCCO1 F18491 [0,0,0,0,0,0|1,0,0]=1 15 B8R1.2 [C-]#[N+]C1CCCCC1 D89407 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 [Mg+]CC1CCCCC1 F16672 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.3 C[C@@H]1C=CCCC1 D91429 [1,0,0,0,0,0|1,0,1]=3 18 B7R1.3 C[C@@H]1CC=CCC1 D91581 [1,0,0,0,0,0|1,0,2]=4 19 B7R1.3 C[C@H]1CCOCO1 D91290 [1,0,0,0,0,0|1,0,0]=2 20 B7R1.3 ClC1CCNCC1 F14708 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 Cl[C@@H]1C=CCCC1 T70633 [1,0,0,0,0,0|2,0,1]=4 22 B7R1.3 FC1CCCCC1 H10408 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 F[C@H]1CCCNC1 P18988 [1,0,0,0,0,0|3,0,0]=4 24 B7R1.3 NC1CCCCC1 D89563 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 N[C@H]1CCCNC1 C13585 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 CC1CCC(CN)CC1 C78152 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.1 CCC1CCC(C)CC1 T72381 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.1 CCC1CCC(N)CC1 AT14233 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.1 NCC1CCC(N)CC1 D88555 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.2 CCC1CCCC(C)C1 D90512 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.2 CCC1CCCC(O)C1 AC6164 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.2 COC1CCCC(O)C1 P16568 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.6 C=C(O)[C@@H]1CNCCN1 P14234 [0,1,0,0,0,0|2,0,1]=4 34 B9R1.6 CC(C)[C@@H]1CCCCN1 N12427 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.6 O=C(O)[C@@H]1CNCCN1 65133 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.6 O=C(O)[C@@H]1CNCCN1 65231 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.6 O=C(O)[C@@H]1CNCCN1 AT10767 [0,1,0,0,0,0|2,0,1]=4 38 B9R1.6 O=C(O)[C@@H]1CNCCO1 77637 [0,1,0,0,0,0|1,0,1]=3 39 B9R1.6 O=C([O-])C1CCCCC1 D91685 [0,1,0,0,0,0|1,0,2]=4 40 B9R1.8 C#CCN1CCCCC1 O10324 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.8 C=CCC1CCCCC1 D88393 [0,1,0,0,0,0|2,0,0]=3 42 B9R1.8 C=CO[C@@H]1CCCCO1 92028 [0,1,0,0,0,0|1,0,1]=3 43 B9R1.8 CCCC1CCCCC1 D91999 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.8 CCC[C@H]1CCCCN1 F16896 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.8 CCO[C@H]1CCCNC1 61512 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.8 ClCCN1CCCCC1 D87923 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.8 N#CCN1CCCCC1 D89390 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.8 N#CC[NH+]1CCCCC1 D89516 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.8 OCCC1SCCCS1 D80727 [0,1,0,0,0,0|1,1,0]=3 50 B9R1.8 OCC[C@H]1CNCCN1 F13481 [0,1,0,0,0,0|2,0,0]=3 51 B9R1.118 C#CC1(N)CCCCC1 E72550 [0,1,0,0,0,0|2,0,1]=4 52 B9R1.118 C[C@]1(CO)CCCNC1 P10696 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.118 N#CC1(N)CCCCC1 20141 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.118 N#CC1(O)CCCCC1 F53384 [0,1,0,0,0,0|2,0,1]=4 55 B9R1.118 NCC1(O)CCCCC1 D75568 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.1 C#CCCCCCC F10502 [0,0,1,0,0,0|2,0,1]=4 57 B7R0.1 C=CCCCCCC D91846 [0,0,1,0,0,0|2,0,1]=4 58 B7R0.1 CCC#CCCCC D91806 [0,0,1,0,0,0|2,0,1]=4 59 B7R0.1 CCCC#CCCC D91807 [0,0,1,0,0,0|2,0,1]=4 60 B7R0.1 CCCC#CCCO D90878 [0,0,1,0,0,0|1,0,1]=3 61 B7R0.1 CCCCC#CCO D90877 [0,0,1,0,0,0|1,0,1]=3 62 B7R0.1 CCCCCCC#N D90969 [0,0,1,0,0,0|2,0,1]=4 63 B7R0.1 CCCCCCCC A10542 [0,0,1,0,0,0|2,0,0]=3 64 B7R0.1 CCCCCCCN F17097 [0,0,1,0,0,0|2,0,0]=3 65 B7R0.1 CCCCCCOC D90977 [0,0,1,0,0,0|3,0,0]=4 66 B7R0.1 CCCCNCCN A10255 [0,0,1,0,0,0|2,0,0]=3 67 B7R0.1 CCCCSCCO T71016 [0,0,1,0,0,0|0,1,0]=2 68 B7R0.1 CCCC\C=C\CO D90932 [0,0,1,0,0,0|1,0,1]=3 69 B7R0.1 CCCNCCOC D91418 [0,0,1,0,0,0|3,0,0]=4 70 B7R0.1 CCCOCCCN D92070 [0,0,1,0,0,0|2,0,0]=3 71 B7R0.1 CCC\C=C/CCC D91812 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.1 CCC\C=C\CCC D91813 [0,0,1,0,0,0|2,0,1]=4 73 B7R0.1 CCNCCCCO D90525 [0,0,1,0,0,0|2,0,0]=3 74 B7R0.1 CC\C=C/CCCC T71802 [0,0,1,0,0,0|2,0,1]=4 75 B7R0.1 CC\C=C/CCCO D90956 [0,0,1,0,0,0|1,0,2]=4 76 B7R0.1 CC\C=C\CCCC D91811 [0,0,1,0,0,0|2,0,1]=4 77 B7R0.3 C=C(CC)CCCC D90439 [0,0,1,0,0,0|2,0,1]=4 78 B7R0.3 CCCC[C@@H](Br)CC D88770 [0,0,1,0,0,0|2,0,0]=3 79 B7R0.3 CCCC[C@@H](C)CC D91318 [0,0,1,0,0,0|2,0,0]=3 80 B7R0.3 CCCN[C@@H](C)CC D88748 [0,0,1,0,0,0|2,0,0]=3 81 B7R0.3 CCCOC(=O)CN 77506 [0,0,1,0,0,0|2,0,1]=4 82 B7R0.3 CCC\C=C(/C)CC D91421 [0,0,1,0,0,0|2,0,1]=4 83 B7R0.3 CC[C@H](C)CCCO T71938 [0,0,1,0,0,0|3,0,0]=4 84 B7R0.3 CC\C=C\[C@@H](C)CC T71711 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.3 CSCC[C@H](N)CO A10464 [0,0,1,0,0,0|2,0,0]=3 86 B7R0.3 CSCC[C@H](N)CO F11073 [0,0,1,0,0,0|2,0,0]=3 87 B7R0.12 CCCC(OC)OC A11051 [0,0,1,0,0,0|2,0,0]=3 88 B7R0.12 COC(CCCl)OC D89518 [0,0,1,0,0,0|3,0,0]=4 89 B9R2.49 C1CN2CCC1CC2 T72429 [0,0,0,1,0,0|3,0,0]=4 90 B7R1.1 CCC1=CCCC1 T72078 [0,0,0,0,1,0|1,0,2]=4 91 B7R1.1 CNC1CCCC1 35688 [0,0,0,0,1,0|2,0,0]=3 92 B7R1.1 CN[C@H]1CCNC1 C14693 [0,0,0,0,1,0|3,0,0]=4 93 B7R1.1 NC[C@H]1CCCO1 S10918 [0,0,0,0,1,0|1,0,0]=2 94 B7R1.1 O=C[C@H]1CCNC1 D87588 [0,0,0,0,1,0|1,0,2]=4 95 B7R1.1 OC[C@H]1CCCN1 11149 [0,0,0,0,1,0|1,0,0]=2 96 B9R1.89 NCC1CCCCCC1 C10073 [0,0,0,0,0,1|2,0,0]=3 97 B6R0.6 C#CCCCCC 75208 [1,0,1,0,0,0|1,0,1]=4 98 B6R0.6 C=CCCCCC D90784 [1,0,1,0,0,0|1,0,1]=4 99 B6R0.6 CC#CCCCC D90868 [1,0,1,0,0,0|1,0,1]=4 100 B6R0.6 CCCCCC#N D90798 [1,0,1,0,0,0|1,0,1]=4 101 B6R0.6 CCCCCCN D91063 [1,0,1,0,0,0|1,0,0]=3 102 B6R0.6 CCCCCC[Mg+] D78455 [1,0,1,0,0,0|1,0,0]=3 103 B6R0.6 CCCCCNN AC4196 [1,0,1,0,0,0|2,0,0]=4 104 B6R0.6 CCCCCSC D88262 [1,0,1,0,0,0|2,0,0]=4 105 B6R0.6 CCCCOCC D88684 [1,0,1,0,0,0|0,0,0]=2 106 B6R0.6 CCCOCCC D91968 [1,0,1,0,0,0|1,0,0]=3 107 B6R0.6 CCCOCCN D88415 [1,0,1,0,0,0|1,0,0]=3 108 B6R0.6 CCCSCCC D91969 [1,0,1,0,0,0|1,1,0]=4 109 B6R0.6 CCCSCCO D92003 [1,0,1,0,0,0|0,1,0]=3 110 B6R0.6 CCC\C=C/CO D90941 [1,0,1,0,0,0|0,0,2]=4 111 B6R0.6 CC\C=C\CCC D90967 [1,0,1,0,0,0|1,0,1]=4 112 B6R0.6 C\C=C/CCCC D90859 [1,0,1,0,0,0|1,0,1]=4 113 B6R0.6 C\C=C/CCCO D90944 [1,0,1,0,0,0|0,0,2]=4 114 B6R0.6 C\C=C\CCCC D90785 [1,0,1,0,0,0|1,0,1]=4 115 B6R0.6 C\C=C\CCCO D71247 [1,0,1,0,0,0|0,0,2]=4 116 B6R0.6 ClCCCCCCl D89643 [1,0,1,0,0,0|2,0,0]=4 117 B6R0.6 N#CCCCCO D77640 [1,0,1,0,0,0|1,0,1]=4 118 B6R0.6 NCCCCCN 24563 [1,0,1,0,0,0|2,0,0]=4 119 B6R0.6 SCCOCCS AT13657 [1,0,1,0,0,0|1,1,0]=4 120 B6R0.1 C#C[C@@H](O)CCC D90806 [1,0,1,0,0,0|1,0,1]=4 121 B6R0.1 CCC[C@@H](C)CC D91320 [1,0,1,0,0,0|1,0,0]=3 122 B6R0.1 CCC[C@@H](O)CC F16582 [1,0,1,0,0,0|1,0,0]=3 123 B6R0.1 CCC[C@H](N)CO A10465 [1,0,1,0,0,0|1,0,0]=3 124 B6R0.1 CCC[C@H](N)CO A10469 [1,0,1,0,0,0|1,0,0]=3 125 B6R0.1 CCO[C@@H](Cl)CCl D89636 [1,0,1,0,0,0|2,0,0]=4 126 B6R0.1 CC[C@H](C)CCO D91364 [1,0,1,0,0,0|2,0,0]=4 127 B6R0.1 CC[C@H](C)CCO T72450 [1,0,1,0,0,0|2,0,0]=4 128 B6R0.1 COC[C@H](C)OC D90270 [1,0,1,0,0,0|1,0,0]=3 129 B6R0.1 C[C@H](CO)CCN T71428 [1,0,1,0,0,0|1,0,0]=3 130 B6R0.1 C\C=C\[C@@H](C)CC D91310 [1,0,1,0,0,0|1,0,1]=4 131 B6R0.4 C=C(C)CCCC D91349 [1,0,1,0,0,0|1,0,1]=4 132 B6R0.4 CC(C)NCCN D91135 [1,0,1,0,0,0|2,0,0]=4 133 B6R0.4 CC(C)OCCN AT12492 [1,0,1,0,0,0|1,0,0]=3 134 B6R0.4 CC(C)SCCN AT25564 [1,0,1,0,0,0|1,1,0]=4 135 B6R0.4 CC(C)SCCO D91113 [1,0,1,0,0,0|1,1,0]=4 136 B6R0.4 CCCC=C(C)C T72209 [1,0,1,0,0,0|1,0,1]=4 137 B6R0.4 CCCCC(C)C D91294 [1,0,1,0,0,0|1,0,0]=3 138 B6R0.4 CCCC[C@H](C)Br D88771 [1,0,1,0,0,0|1,0,0]=3 139 B6R0.4 CCCC[C@H](C)Cl D89320 [1,0,1,0,0,0|1,0,0]=3 140 B6R0.4 CCCC[C@H](C)N A12776 [1,0,1,0,0,0|1,0,0]=3 141 B6R0.4 CCCC[C@H](C)O D97165 [1,0,1,0,0,0|0,0,0]=2 142 B6R0.4 CCCC[C@H](C)O D97166 [1,0,1,0,0,0|0,0,0]=2 143 B6R0.4 CCCSC(C)C D92018 [1,0,1,0,0,0|0,1,0]=3 144 B6R0.4 CCNC[C@H](C)O D90604 [1,0,1,0,0,0|1,0,0]=3 145 B6R0.4 CNCCC(C)C D72652 [1,0,1,0,0,0|2,0,0]=4 146 B6R0.9 CCC(CC)CC D90425 [1,0,1,0,0,0|1,0,0]=3 147 B6R0.9 CCC(CC)NC F11986 [1,0,1,0,0,0|2,0,0]=4 148 B6R0.9 CCN(CC)CC D90698 [1,0,1,0,0,0|2,0,0]=4 149 B6R0.9 CC[C@@H](CO)OC D91512 [1,0,1,0,0,0|0,0,0]=2 150 B6R1.1 C1CCOCC1 H11250 [2,0,0,0,0,0|0,0,0]=2 151 B6R1.1 C1CNCCN1 D91965 [2,0,0,0,0,0|2,0,0]=4 152 B6R1.1 C1COCCO1 D88955 [2,0,0,0,0,0|1,0,0]=3 153 B6R1.1 C1COCOC1 D89730 [2,0,0,0,0,0|1,0,0]=3 154 B8R0.1 CCCCC(=O)CCC T72667 [0,1,1,0,0,0|2,0,0]=4 155 B8R0.1 CCCC[C@@H](O)CCC D91820 [0,1,1,0,0,0|2,0,0]=4 156 B8R0.4 C#CCCCCCCC D91672 [0,1,1,0,0,0|2,0,0]=4 157 B8R0.4 C=CCCCCCCC D91747 [0,1,1,0,0,0|2,0,0]=4 158 B8R0.4 C=CCCCCCCO F14752 [0,1,1,0,0,0|1,0,0]=3 159 B8R0.4 CCCCC#CCCO D91816 [0,1,1,0,0,0|1,0,0]=3 160 B8R0.4 CCCCCC#CCO D91880 [0,1,1,0,0,0|1,0,1]=4 161 B8R0.4 CCCCCCCSC D90918 [0,1,1,0,0,0|1,1,0]=4 162 B8R0.4 CCCCOCCCN 29096 [0,1,1,0,0,0|1,0,0]=3 163 B8R0.4 CCCC[SnH4+2]CCCC D90069 [0,1,1,0,0,0|2,0,0]=4 164 B8R0.4 CCCC\C=C\CCO D91844 [0,1,1,0,0,0|1,0,0]=3 165 B8R0.4 CCC\C=C/CCCC D91694 [0,1,1,0,0,0|2,0,0]=4 166 B8R0.4 CCC\C=C\CCCC D91695 [0,1,1,0,0,0|2,0,0]=4 167 B8R0.4 CC\C=C/CCCCO D91845 [0,1,1,0,0,0|1,0,1]=4 168 B8R0.4 COCCCCCOC D90119 [0,1,1,0,0,0|2,0,0]=4 169 B8R0.4 ClCCCCCCCBr D89022 [0,1,1,0,0,0|2,0,0]=4 170 B8R0.6 CCCCC[C@@H](C)CC T72102 [0,1,1,0,0,0|2,0,0]=4 171 B8R0.6 CCCCC[C@H](O)CO D90979 [0,1,1,0,0,0|1,0,0]=3 172 B8R0.6 CCCCOC(=O)CCl D89195 [0,1,1,0,0,0|1,0,1]=4 173 B8R0.6 CCCCOC(=O)CF D90645 [0,1,1,0,0,0|1,0,1]=4 174 B8R0.7 CCCCCCC(C)C D91311 [0,1,1,0,0,0|2,0,0]=4 175 B8R0.7 CCCCCC[C@H](C)N A12762 [0,1,1,0,0,0|2,0,0]=4 176 B8R0.3 CCCC(=O)[C@@H](C)CC D91475 [0,1,1,0,0,0|2,0,0]=4 177 B8R0.9 CC(C)NC[C@H](O)CO AT17752 [0,1,1,0,0,0|1,0,0]=3 178 B8R0.9 CC(C)NC[C@H](O)CO AT17755 [0,1,1,0,0,0|1,0,0]=3 179 B8R0.9 CCC(C)CCC(C)O D91466 [0,1,1,0,0,0|2,0,0]=4 180 B8R0.9 CC[C@H](C)CCC(C)C T70586 [0,1,1,0,0,0|2,0,0]=4 181 B8R0.11 CCCCC(CO)CO 36758 [0,1,1,0,0,0|0,0,0]=2 182 B8R0.19 CCC(C)CC(O)CC D91467 [0,1,1,0,0,0|1,0,0]=3 183 B8R0.19 CCC(C)OC(C)CC D89852 [0,1,1,0,0,0|1,0,0]=3 184 B8R0.19 CCC(C)SC(C)CC F11357 [0,1,1,0,0,0|1,1,0]=4 185 B8R0.19 CC[C@H](O)C[C@@H](O)CC D97167 [0,1,1,0,0,0|1,0,0]=3 186 B8R0.25 CCCCC(C)(C)CC D89811 [0,1,1,0,0,0|2,0,0]=4 187 B8R0.25 CCCC[C@@](C)(O)CC D91413 [0,1,1,0,0,0|1,0,0]=3 188 B8R0.22 CCCC(CC)CCC T72101 [0,1,1,0,0,0|2,0,0]=4 189 B8R0.22 CCCC(CO)CCC 77508 [0,1,1,0,0,0|1,0,0]=3 190 B8R0.22 CCC[C@@H](CC=O)SC A10718 [0,1,1,0,0,0|0,1,1]=4 191 B8R1.3 CC1CCC(C)CC1 D89704 [1,1,0,0,0,0|1,0,0]=3 192 B8R1.3 CC1CCC(N)CC1 D91414 [1,1,0,0,0,0|1,0,0]=3 193 B8R1.3 CC1CCC(N)CC1 W10116 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.3 C[C@H]1CC[C@@H](C)CC1 D89914 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.3 C[C@H]1CC[C@@H](O)CC1 D91323 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.3 C[C@H]1CN[C@H](C)CN1 F12545 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.3 NC1CCC(O)CC1 AB1056 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.3 N[C@H]1CC[C@@H](O)CC1 N11961 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.4 CC1CCOC(C)O1 D89707 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.4 CC1CNCC(C)O1 F17632 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.4 C[C@H]1CCCC(=O)C1 94623 [1,1,0,0,0,0|1,0,1]=4 202 B8R1.4 C[C@H]1CCC[C@@H](C)C1 D89772 [1,1,0,0,0,0|1,0,0]=3 203 B8R1.4 C[C@H]1CCC[C@H](C)C1 D89771 [1,1,0,0,0,0|1,0,0]=3 204 B8R1.4 C[C@H]1CNC[C@@H](C)N1 H10755 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 C[C@H]1CNC[C@H](C)O1 P20445 [1,1,0,0,0,0|1,0,0]=3 206 B8R1.4 NC1CCCC(O)C1 O10943 [1,1,0,0,0,0|1,0,0]=3 207 B8R1.4 N[C@H]1CCC[C@@H](N)C1 F20603 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.5 C[C@@H]1CCCC[C@@H]1O D91322 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.5 C[C@H]1CCCC[C@@H]1C D89703 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.5 C[C@H]1CCCC[C@@H]1O T72898 [1,1,0,0,0,0|1,0,0]=3 211 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl D90027 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.5 Cl[C@H]1CCCC[C@@H]1Cl D90017 [1,1,0,0,0,0|2,0,0]=4 213 B8R1.5 N[C@H]1CCCC[C@H]1N C10627 [1,1,0,0,0,0|2,0,0]=4 214 B8R1.5 O[C@H]1CCCC[C@H]1O D73189 [1,1,0,0,0,0|1,0,0]=3 215 B8R1.72 CC1(C)CNCCN1 85384 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.72 OC1(O)CCNCC1 A10297 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.1 CN1CC[C@H](CN)C1 P15271 [0,1,0,0,1,0|2,0,0]=4 218 B8R1.1 O=C1C[C@H](CO)CN1 D84364 [0,1,0,0,1,0|1,0,1]=4 219 B8R1.7 CC(C)[C@@H]1CCCN1 P10190 [0,1,0,0,1,0|2,0,0]=4 220 B8R1.8 CNC[C@H]1CCOC1 P10682 [0,1,0,0,1,0|2,0,0]=4 221 B8R1.8 COC[C@H]1CCCN1 11151 [0,1,0,0,1,0|1,0,0]=3 222 B8R1.8 ClCCN1CCCC1 F13141 [0,1,0,0,1,0|2,0,0]=4 223 B8R1.8 N#CCC1OCCO1 T70683 [0,1,0,0,1,0|2,0,0]=4 224 B8R1.8 NCCN1CCCC1 65494 [0,1,0,0,1,0|2,0,0]=4 225 B8R1.11 CN1CCC[C@@H]1CN 37196 [0,1,0,0,1,0|2,0,0]=4 226 B8R1.52 CC1(CBr)OCCO1 AC9362 [0,1,0,0,1,0|2,0,0]=4 227 B8R1.52 NCC1(O)CCCC1 W10015 [0,1,0,0,1,0|1,0,0]=3 228 B10R1.85 NCCC1CCCCCC1 F10354 [0,1,0,0,0,1|2,0,0]=4 229 B10R1.1 CC1CCN(CCO)CC1 L10075 [0,2,0,0,0,0|2,0,0]=4 230 B10R1.1 NC1CCN(CCO)CC1 AT21839 [0,2,0,0,0,0|2,0,0]=4 231 B10R1.3 N#CN1CCC(CO)CC1 72638 [0,2,0,0,0,0|2,0,0]=4 232 B10R1.13 CC(C)C1CCC(N)CC1 D91207 [0,2,0,0,0,0|2,0,0]=4 233 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 P11695 [0,2,0,0,0,0|1,0,1]=4 234 B10R1.2 OC[C@H]1OC=C[C@@H](O)[C@@H]1O 31165 [0,2,0,0,0,0|0,0,2]=4 235 B10R1.2 OC[C@H]1OC=C[C@@H](O)[C@H]1O 77229 [0,2,0,0,0,0|0,0,2]=4 236 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 AT23431 [0,2,0,0,0,0|1,0,1]=4 237 B10R1.15 COC(=O)[C@@H]1CCCCN1 25044 [0,2,0,0,0,0|1,0,1]=4 238 B10R1.15 COC(=O)[C@@H]1CNCCO1 36257 [0,2,0,0,0,0|1,0,1]=4 239 B10R1.15 COC(=O)[C@@H]1CNCCO1 D88036 [0,2,0,0,0,0|1,0,1]=4 240 B10R1.28 CC(C)(C)C1CCCCC1 F17044 [0,2,0,0,0,0|2,0,0]=4 241 B10R1.28 CC(C)(N)C1CCCCC1 D87925 [0,2,0,0,0,0|2,0,0]=4 242 B10R1.28 FC(F)(F)[C@@H]1CCCCN1 AT11260 [0,2,0,0,0,0|2,0,0]=4 243 B10R1.28 FC(F)(F)[C@@H]1CCCCN1 AT11262 [0,2,0,0,0,0|2,0,0]=4 244 B10R1.28 FC(F)(F)[C@@H]1CCCCN1 AT15025 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.61 CC1CCCCC1C(=O)O 71078 [0,2,0,0,0,0|1,0,1]=4 246 B10R1.61 CN1CCCC[C@H]1C(=O)O D83109 [0,2,0,0,0,0|1,0,1]=4 247 B10R1.363 NC1(C(=O)O)CCCCC1 52196 [0,2,0,0,0,0|1,0,1]=4 248 B10R1.4 CCCC1CCCCC1O D92012 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.18 CC(C)CC1CCCCC1 D91110 [0,2,0,0,0,0|2,0,0]=4 250 B10R1.18 C[C@H](O)CN1CCCCC1 AT24868 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.18 O=C(O)C[C@H]1CNCCO1 C14951 [0,2,0,0,0,0|1,0,0]=3 252 B8R1.22 C[C@H]1CCCNCC1 W10113 [0,0,1,1,0,0|2,0,0]=4 253 B8R1.22 O=C1CCOCCO1 T70817 [0,0,1,1,0,0|1,0,1]=4 254 B8R1.22 O[C@H]1CNCCOC1 72606 [0,0,1,1,0,0|1,0,0]=3 255 B8R1.36 CCCNCC1CC1 Y11019 [0,0,1,1,0,0|2,0,0]=4 256 B8R1.49 C1CCCCCCC1 D89258 [0,0,1,1,0,0|2,0,0]=4 257 B8R1.49 C1CCCNCCC1 H10592 [0,0,1,1,0,0|2,0,0]=4 258 B8R2.34 C1CC2CCC1C2 D91724 [1,0,0,1,0,0|1,0,0]=3 259 B8R2.34 C1OC2CNC1C2 P17264 [1,0,0,1,0,0|1,0,0]=3 260 B10R2.409 C1CN2CCC(CC2)N1 H11754 [0,0,0,1,0,1|2,0,0]=4 261 B10R2.62 O[C@H]1CN2CCC1CC2 86203 [0,1,0,1,0,0|2,0,0]=4 262 B10R2.62 O[C@H]1CN2CCC1CC2 F11430 [0,1,0,1,0,0|2,0,0]=4 263 B10R2.62 O[C@H]1CN2CCC1CC2 O10184 [0,1,0,1,0,0|2,0,0]=4 264 B10R2.178 O=C1CC[C@@H]2CO[C@H]1O2 AT22559 [0,1,0,1,0,0|0,0,1]=3 265 B10R2.196 ClC1(Cl)C2CCCCC21 D90275 [0,1,0,1,0,0|2,0,0]=4 266 B6R1.2 C=C1CCCC1 D91403 [1,0,0,0,1,0|0,0,2]=4 267 B6R1.2 CC1=CCCC1 A10734 [1,0,0,0,1,0|0,0,2]=4 268 B6R1.2 CC1OCCO1 D91291 [1,0,0,0,1,0|1,0,0]=3 269 B6R1.2 C[C@H]1CCCN1 W10111 [1,0,0,0,1,0|1,0,0]=3 270 B6R1.2 C[C@H]1COCO1 D91404 [1,0,0,0,1,0|1,0,0]=3 271 B6R1.2 OC1CCCC1 25002 [1,0,0,0,1,0|0,0,0]=2 272 B6R1.2 O[C@H]1CCNC1 O12064 [1,0,0,0,1,0|1,0,0]=3 273 B6R1.2 [Mg+]C1CCCC1 FD10627 [1,0,0,0,1,0|1,0,0]=3 274 B6R1.6 NCC1CNC1 F53083 [0,0,0,0,2,0|2,0,0]=4