0 B6R0.1 C=CC(O)CCC SY048915 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 CCC(=O)CC#N SY004535 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 CCC(=O)COC SY190908 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.1 CCCC(=O)NN SY060413 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCCC(C)CN SY271841 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCCC(O)CO SY032914 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.1 CCC[C@@H](N)CF SY045881 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.1 CCC[C@@H](N)CO SY038521 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CCC[C@H](N)CF SY045882 [0,0,0,0,0,0|2,0,0]=2 9 B6R0.1 CCC[C@H](N)CO SY017944 [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 CCNC(=O)CCl SY024489 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 CCOC(=N)CCl SY026914 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCOC(=O)CN SY002226 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CCOC(=O)CO SY002762 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CCOC(=S)SC SY261921 [0,0,0,0,0,0|2,1,1]=4 15 B6R0.1 CNC(=O)CCO SY083761 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 CNC[C@@H](O)CO SY294795 [0,0,0,0,0,0|2,0,0]=2 17 B6R0.1 COC(=O)CCBr SY002337 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 COC(=O)CCN SY004831 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 COC(=O)CCO SY008913 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.1 COC[C@@H](O)CN SY236677 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.1 COC[C@H](O)CN SY199877 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.1 N#CC[C@@H](O)CCl SY037767 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.1 N#CC[C@H](O)CCl SY037768 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.1 NCCC(O)CO SY260308 [0,0,0,0,0,0|2,0,0]=2 25 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.1 OCCC(O)CO SY003295 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.1 OCC[C@H](O)CO SY274042 [0,0,0,0,0,0|2,0,0]=2 28 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 CC(=O)CCN SY263173 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CC(=O)CCO SY002849 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.1 CC(C)CON SY013358 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CC(N)CCF SY299085 [1,0,0,0,0,0|2,0,0]=3 33 B5R0.1 CC(N)CCO SY030187 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.1 CC(O)CCBr SY216789 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CCCB(O)O SY030878 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CCC[C@@H](C)O SY045083 [1,0,0,0,0,0|0,0,0]=1 37 B5R0.1 CCNC(C)=O SY016499 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 CN(C)CCBr SY004492 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 CN(C)CCI SY219257 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 CN(C)CCI SY247759 [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 CN(C)CCI SY247769 [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 CNCC(=O)O SY001630 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 CNCC(C)O SY083968 [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 CNCC(F)F SY181997 [1,0,0,0,0,0|3,0,0]=4 45 B5R0.1 CNC[C@H](C)O SY131109 [1,0,0,0,0,0|1,0,0]=2 46 B5R0.1 COCC(C)Br SY074290 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 COC[C@@H](C)N SY034826 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 COC[C@@H](C)N SY056838 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 CSCS(C)=O SY049552 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.1 C[C@@H](O)CCO SY049450 [1,0,0,0,0,0|1,0,0]=2 51 B5R0.1 C[C@H](N)CC#N SY121969 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.1 C[C@H](N)CC#N SY294704 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.1 C[C@H](N)CCO SY022986 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.1 O=C(O)CCF SY008508 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.1 O=C(O)CCO SY003982 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 C#CCCCO SY007472 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.2 C#CCCOC SY261977 [1,0,0,0,0,0|1,0,2]=4 58 B5R0.2 C=CCCCCl SY115227 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.2 C=CCCCN SY039810 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.2 CCC#CCBr SY045110 [1,0,0,0,0,0|1,0,2]=4 61 B5R0.2 CCC#CCO SY048461 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.2 CCCCNN SY048097 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.2 CCCCON SY013356 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.2 CCCCON SY019069 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 CNCCSC SY020435 [1,0,0,0,0,0|2,0,0]=3 66 B5R0.2 COCCNN SY048076 [1,0,0,0,0,0|3,0,0]=4 67 B5R0.2 ClCCCCI SY049669 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.2 ICCCCI SY037746 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.2 N#CCCCBr SY012834 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 N#CCCCCl SY001790 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.2 NCCCCBr SY113500 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.2 NCCCCN SY004150 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.2 NCCCCO SY001196 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.2 NCCCON SY273643 [1,0,0,0,0,0|3,0,0]=4 75 B5R0.2 NOCCCO SY204344 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.2 NOCCCO SY281570 [1,0,0,0,0,0|3,0,0]=4 77 B5R0.3 C=CC(O)CO SY275096 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.3 CC(CBr)CBr SY038831 [1,0,0,0,0,0|3,0,0]=4 79 B5R0.3 CC(CI)CI SY248411 [1,0,0,0,0,0|3,0,0]=4 80 B5R0.3 CCC(Br)CC SY050135 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.3 CC[C@@H](N)CO SY049464 [1,0,0,0,0,0|2,0,0]=3 82 B5R0.3 CC[C@H](N)CF SY045883 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.3 CNC(C)CO SY082195 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.3 COC(C)CBr SY298794 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.3 CO[C@@H](C)CN SY114788 [1,0,0,0,0,0|3,0,0]=4 86 B5R0.3 FCC(I)CF SY249443 [1,0,0,0,0,0|3,0,0]=4 87 B5R0.3 NCC(Br)CBr SY006726 [1,0,0,0,0,0|3,0,0]=4 88 B5R0.3 NCC(F)CO SY260924 [1,0,0,0,0,0|3,0,0]=4 89 B5R0.3 NCC(O)CN SY013661 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.3 NC[C@@H](O)CO SY008127 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.3 NC[C@H](O)CBr SY294054 [1,0,0,0,0,0|2,0,0]=3 92 B5R0.3 NC[C@H](O)CCl SY060396 [1,0,0,0,0,0|2,0,0]=3 93 B5R0.3 OC(CBr)CBr SY012889 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.2 CC(C)CC(N)C#N SY021412 [0,1,0,0,0,0|2,0,1]=4 95 B7R0.2 CC(C)CC(N)C#N SY021415 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.2 CC(C)CC(N)CF SY045878 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.2 CC(C)CC(N)CO SY030475 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.2 CC(C)C[C@@H](N)CO SY030474 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.2 CC(C)C[C@H](N)CO SY014112 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.2 CCC(C)CC(=O)Cl SY265619 [0,1,0,0,0,0|2,0,1]=4 101 B7R0.2 CCC(C)CC(C)N SY018617 [0,1,0,0,0,0|1,0,0]=2 102 B7R0.2 COC(=O)C[C@@H](C)N SY024605 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.2 COC(=O)C[C@@H](C)N SY024610 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.2 COC(=O)C[C@@H](C)O SY018984 [0,1,0,0,0,0|1,0,2]=4 105 B7R0.2 COC(=O)C[C@H](C)N SY212047 [0,1,0,0,0,0|1,0,2]=4 106 B7R0.2 COC(=O)C[C@H](C)O SY018985 [0,1,0,0,0,0|1,0,2]=4 107 B7R0.2 O=C([O-])CC(O)CO SY296011 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.3 CCC(=O)OCCO SY301488 [0,1,0,0,0,0|1,0,2]=4 110 B7R0.3 CCCCC(O)CO SY049796 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.3 CCCCN(C)CC SY311327 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.3 CCCC[C@@H](N)CO SY038512 [0,1,0,0,0,0|2,0,0]=3 113 B7R0.3 CCCC[C@H](N)CO SY038520 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.3 CNC(=O)CCCO SY126228 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.3 CNCCC(=O)NC SY029107 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.3 CNCCC(=O)OC SY019690 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.3 COC(=O)CCCBr SY011922 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.3 COC(=O)CCCI SY110660 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.3 COC(=O)CCCN SY058513 [0,1,0,0,0,0|1,0,2]=4 120 B7R0.3 COC(=O)CCCO SY268958 [0,1,0,0,0,0|1,0,2]=4 121 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,1,0,0,0,0|2,0,0]=3 122 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.5 CC(=O)C(C)CCBr SY247638 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.5 CC(C)C(=O)CCN SY263226 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.5 CC(C)C(N)CCO SY015880 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.5 CCCC(N)C(=O)O SY035722 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.5 CCCC(O)C(N)=O SY251045 [0,1,0,0,0,0|1,0,1]=3 128 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [0,1,0,0,0,0|2,0,1]=4 130 B7R0.5 CCNC(=O)[C@H](C)N SY297093 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.5 CCNC(=O)[C@H](C)N SY297094 [0,1,0,0,0,0|1,0,2]=4 132 B7R0.5 CCOC(=O)C(C)N SY004290 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.5 CCOC(=O)[C@@H](C)N SY021480 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.5 CCOC(=O)[C@@H](C)O SY030456 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.5 CCOC(O)C(F)F SY007828 [0,1,0,0,0,0|2,0,0]=3 136 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.7 CCCC(=O)OCCl SY018804 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.7 CCCC(Br)CCC SY016752 [0,1,0,0,0,0|1,0,0]=2 139 B7R0.7 CCCC(N)CCC SY024496 [0,1,0,0,0,0|1,0,0]=2 140 B7R0.7 CCC[C@H](N)CCO SY117417 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.7 CCNC(=O)CCCl SY168089 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.7 CCNC(=O)NCC SY001914 [0,1,0,0,0,0|1,0,2]=4 143 B7R0.7 CCOC(=O)CCBr SY001430 [0,1,0,0,0,0|1,0,2]=4 144 B7R0.7 CCOC(=O)CCI SY031505 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.7 CCOC(=O)CCN SY001761 [0,1,0,0,0,0|1,0,2]=4 146 B7R0.7 CCOC(=O)CCO SY008914 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.7 CCOC(=O)CNC SY007981 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.7 COCC(=O)COC SY110586 [0,1,0,0,0,0|1,0,2]=4 149 B7R0.7 COCC(O)COC SY021402 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.7 O=C(CCCl)CCCl SY031905 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.7 O=C(CCO)CCCl SY300455 [0,1,0,0,0,0|1,0,2]=4 152 B7R0.7 O=C(CCO)CCO SY239973 [0,1,0,0,0,0|1,0,2]=4 153 B7R0.7 OCCC(O)CCO SY284695 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.10 CC[C@@H](N)C(=O)OC SY026012 [0,1,0,0,0,0|1,0,2]=4 155 B7R0.10 CC[C@H](C)[C@H](N)CF SY045877 [0,1,0,0,0,0|2,0,0]=3 156 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [0,1,0,0,0,0|2,0,0]=3 157 B7R0.10 CC[C@H](N)C(=O)OC SY096587 [0,1,0,0,0,0|1,0,2]=4 158 B7R0.10 COC(=O)C(O)CN SY029941 [0,1,0,0,0,0|2,0,1]=4 159 B7R0.10 COC(=O)C(O)CO SY265586 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.10 COC(=O)[C@H](O)CO SY116554 [0,1,0,0,0,0|2,0,1]=4 162 B7R0.11 CCOS(=O)(=O)CC SY253126 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.12 CCON(CC)CC SY284911 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.12 COCC(OC)OC SY050730 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.12 NCCC(CO)CO SY309273 [0,1,0,0,0,0|2,0,0]=3 166 B7R1.1 BrCC1CCOC1 SY042030 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.1 BrCC1OCCO1 SY013531 [0,0,0,1,0,0|2,0,0]=3 168 B7R1.1 C#CC1CCCC1 SY047862 [0,0,0,1,0,0|1,0,2]=4 169 B7R1.1 C#CC1CCCO1 SY284812 [0,0,0,1,0,0|0,0,2]=3 170 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,0,0,1,0,0|1,0,0]=2 171 B7R1.1 CNC1CCOC1 SY048009 [0,0,0,1,0,0|3,0,0]=4 172 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.1 COC1CCNC1 SY043121 [0,0,0,1,0,0|3,0,0]=4 174 B7R1.1 COC1CCNC1 SY097408 [0,0,0,1,0,0|3,0,0]=4 175 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,0,0,1,0,0|3,0,0]=4 177 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,0,0,1,0,0|3,0,0]=4 178 B7R1.1 ClCC1CCCO1 SY049357 [0,0,0,1,0,0|1,0,0]=2 179 B7R1.1 FCC1CCNC1 SY265543 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.1 FC[C@H]1CCCN1 SY098832 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.1 N#CC1CCCN1 SY026581 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.1 N#CC1CCCO1 SY012529 [0,0,0,1,0,0|1,0,1]=3 183 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.1 N#C[C@H]1CCCN1 SY007468 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.1 NCC1CCCC1 SY013219 [0,0,0,1,0,0|2,0,0]=3 186 B7R1.1 NCC1CCCC1 SY025882 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.1 NCC1CCOC1 SY042027 [0,0,0,1,0,0|3,0,0]=4 188 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,0,0,1,0,0|1,0,0]=2 189 B7R1.1 O=CC1CCCC1 SY004589 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.1 O=CC1CCCO1 SY024520 [0,0,0,1,0,0|1,0,1]=3 191 B7R1.1 OCC1CCCC1 SY006011 [0,0,0,1,0,0|2,0,0]=3 192 B7R1.1 OCC1CCCN1 SY013851 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.1 OCC1CCNC1 SY018506 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.1 OCC1CCNC1 SY021497 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.1 OCC1CCOC1 SY030918 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,0,0,1,0,0|1,0,0]=2 197 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,0,0,1,0,0|2,0,0]=3 199 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,0,0,1,0,0|1,0,0]=2 200 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.2 CC1CCC(=O)C1 SY003033 [0,0,0,1,0,0|0,0,2]=3 202 B7R1.2 CC1CCC(=O)O1 SY011304 [0,0,0,1,0,0|1,0,2]=4 203 B7R1.2 CC1CCC(C)N1 SY140252 [0,0,0,1,0,0|2,0,0]=3 204 B7R1.2 CC1CCC(N)C1 SY156765 [0,0,0,1,0,0|1,0,0]=2 205 B7R1.2 CC1CNC(=O)C1 SY065050 [0,0,0,1,0,0|1,0,2]=4 206 B7R1.2 CN1CCC(O)C1 SY005849 [0,0,0,1,0,0|1,0,0]=2 207 B7R1.2 CN1CC[C@@H](N)C1 SY096941 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.2 CN1CC[C@@H](O)C1 SY031540 [0,0,0,1,0,0|1,0,0]=2 209 B7R1.2 CN1CC[C@H](N)C1 SY096895 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.2 CN1CC[C@H](O)C1 SY003953 [0,0,0,1,0,0|1,0,0]=2 211 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [0,0,0,1,0,0|1,0,0]=2 212 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [0,0,0,1,0,0|1,0,0]=2 213 B7R1.2 NC1CCC(O)C1 SY097023 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.2 NN1CCC(F)C1 SY308388 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SY021340 [0,0,0,1,0,0|1,0,0]=2 216 B7R1.2 N[C@@H]1CC[C@H](O)C1 SY045306 [0,0,0,1,0,0|1,0,0]=2 217 B7R1.2 N[C@H]1CC[C@@H](O)C1 SY198445 [0,0,0,1,0,0|1,0,0]=2 218 B7R1.2 N[C@H]1CC[C@H](O)C1 SY021301 [0,0,0,1,0,0|1,0,0]=2 219 B7R1.2 N[C@H]1CC[C@H](O)C1 SY259001 [0,0,0,1,0,0|1,0,0]=2 220 B7R1.2 O=C1CC(O)CN1 SY031844 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.2 O=C1CCC(O)C1 SY040217 [0,0,0,1,0,0|1,0,1]=3 222 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,0,0,1,0,0|2,0,1]=4 223 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.3 BrC1=CCCCC1 SY253165 [0,0,0,1,0,0|1,0,2]=4 227 B7R1.3 BrC1CCCOC1 SY005937 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 BrC1CCNCC1 SY013399 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 BrC1CCOCC1 SY002700 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.3 C=C1CCNCC1 SY022740 [0,0,0,1,0,0|2,0,1]=4 231 B7R1.3 CC1CNCCO1 SY008226 [0,0,0,1,0,0|3,0,0]=4 232 B7R1.3 CC1COCCN1 SY028991 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.3 CN1CCNCC1 SY102030 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.3 CN1CCOCC1 SY262844 [0,0,0,1,0,0|3,0,0]=4 235 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,0,0,1,0,0|3,0,0]=4 237 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,0,0,1,0,0|3,0,0]=4 238 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,0,0,1,0,0|3,0,0]=4 240 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,0,0,1,0,0|3,0,0]=4 241 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,0,0,1,0,0|3,0,0]=4 245 B7R1.3 C[C@H]1COCCN1 SY002673 [0,0,0,1,0,0|3,0,0]=4 246 B7R1.3 C[C@H]1COCCN1 SY023874 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.3 ClC1C=CCCC1 SY054691 [0,0,0,1,0,0|1,0,2]=4 248 B7R1.3 ClC1CCNCC1 SY046580 [0,0,0,1,0,0|2,0,0]=3 249 B7R1.3 ClC1CCOCC1 SY051140 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.3 FC1CCCNC1 SY010384 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.3 FC1CCNCC1 SY010389 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.3 FC1CCNCC1 SY020129 [0,0,0,1,0,0|2,0,0]=3 253 B7R1.3 IC1CCOCC1 SY004489 [0,0,0,1,0,0|2,0,0]=3 254 B7R1.3 NC1CCCNC1 SY020460 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.3 NC1CCOCC1 SY013112 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.3 NC1CCSCC1 SY042938 [0,0,0,1,0,0|2,0,0]=3 257 B7R1.3 N[C@@H]1CCCNC1 SY008763 [0,0,0,1,0,0|2,0,0]=3 258 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,0,0,1,0,0|2,0,0]=3 259 B7R1.3 N[C@H]1CCCNC1 SY009305 [0,0,0,1,0,0|2,0,0]=3 260 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.3 O=C1CCCCN1 SY011119 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.3 O=C1CCCCO1 SY018264 [0,0,0,1,0,0|1,0,2]=4 263 B7R1.3 O=C1CCCCS1 SY222230 [0,0,0,1,0,0|1,0,2]=4 264 B7R1.3 O=C1CCCNC1 SY025656 [0,0,0,1,0,0|1,0,2]=4 265 B7R1.3 O=C1CCCOC1 SY003102 [0,0,0,1,0,0|1,0,2]=4 266 B7R1.3 O=C1CCNCC1 SY002027 [0,0,0,1,0,0|1,0,2]=4 267 B7R1.3 O=C1CCNCC1 SY107185 [0,0,0,1,0,0|1,0,2]=4 268 B7R1.3 O=C1CCSCC1 SY007101 [0,0,0,1,0,0|1,0,2]=4 269 B7R1.3 OC1CC=CCC1 SY264800 [0,0,0,1,0,0|0,0,2]=3 270 B7R1.3 OC1CCCCO1 SY009592 [0,0,0,1,0,0|1,0,0]=2 271 B7R1.3 OC1CCCNC1 SY002024 [0,0,0,1,0,0|1,0,0]=2 272 B7R1.3 OC1CCCOC1 SY021770 [0,0,0,1,0,0|1,0,0]=2 273 B7R1.3 OC1CCNCC1 SY025543 [0,0,0,1,0,0|1,0,0]=2 274 B7R1.3 OC1CCOCC1 SY002687 [0,0,0,1,0,0|1,0,0]=2 275 B7R1.3 OC1CCSCC1 SY019603 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.3 OC1COCOC1 SY039164 [0,0,0,1,0,0|2,0,0]=3 277 B7R1.3 ON1CCNCC1 SY248545 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,0,0,1,0,0|1,0,0]=2 279 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.4 CC1CCCC1=O SY045483 [0,0,0,1,0,0|0,0,2]=3 281 B7R1.4 CC1CCOC1=O SY051660 [0,0,0,1,0,0|1,0,2]=4 282 B7R1.4 CC1OCCC1=O SY001818 [0,0,0,1,0,0|1,0,2]=4 283 B7R1.4 CC1SCCC1=O SY003998 [0,0,0,1,0,0|1,0,2]=4 284 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,0,0,1,0,0|1,0,0]=2 285 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,0,0,1,0,0|1,0,0]=2 286 B7R1.4 F[C@@H]1CNC[C@H]1F SY270347 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.4 F[C@H]1CNC[C@@H]1F SY301499 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.4 F[C@H]1CNC[C@H]1F SY302340 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.4 NC1CCCC1O SY004734 [0,0,0,1,0,0|1,0,0]=2 290 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,0,0,1,0,0|1,0,0]=2 291 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,0,0,1,0,0|1,0,0]=2 292 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,0,0,1,0,0|1,0,0]=2 293 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,0,0,1,0,0|1,0,0]=2 294 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,0,0,1,0,0|3,0,0]=4 295 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,0,0,1,0,0|1,0,0]=2 296 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,0,0,1,0,0|1,0,0]=2 297 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,0,0,1,0,0|2,0,0]=3 298 B7R1.4 O=C1CCCC1F SY200677 [0,0,0,1,0,0|1,0,2]=4 299 B7R1.4 O=C1NCCC1O SY017439 [0,0,0,1,0,0|2,0,1]=4 300 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,0,0,1,0,0|2,0,1]=4 301 B7R1.4 O=C1OCCC1O SY052569 [0,0,0,1,0,0|2,0,1]=4 302 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,0,0,1,0,0|2,0,1]=4 303 B7R1.4 OC1CCCC1F SY273252 [0,0,0,1,0,0|1,0,0]=2 304 B7R1.4 OC1CCCC1O SY007557 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.4 OC1COCC1Br SY262931 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,0,0,1,0,0|1,0,0]=2 307 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,0,0,1,0,0|1,0,0]=2 308 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,0,0,1,0,0|1,0,0]=2 309 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,0,0,1,0,0|2,0,0]=3 310 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,0,0,1,0,0|2,0,0]=3 311 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,0,0,1,0,0|2,0,0]=3 312 B7R1.6 CCOC1CNC1 SY198400 [0,0,0,1,0,0|3,0,0]=4 313 B7R1.6 CNCC1COC1 SY113244 [0,0,0,1,0,0|3,0,0]=4 314 B7R1.6 COCC1CCN1 SY122024 [0,0,0,1,0,0|2,0,0]=3 315 B7R1.6 COCC1CNC1 SY060329 [0,0,0,1,0,0|3,0,0]=4 316 B7R1.6 ICCC1COC1 SY249454 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.6 NCCC1CNC1 SY263737 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.6 NCCN1CCC1 SY099362 [0,0,0,1,0,0|3,0,0]=4 319 B7R1.6 NOCC1CCC1 SY216380 [0,0,0,1,0,0|3,0,0]=4 320 B7R1.6 NOCC1CCC1 SY281574 [0,0,0,1,0,0|3,0,0]=4 321 B7R1.6 O=CCC1CCC1 SY025254 [0,0,0,1,0,0|2,0,1]=4 322 B7R1.6 OCCC1CCO1 SY099736 [0,0,0,1,0,0|1,0,0]=2 323 B7R1.6 OCCC1COC1 SY097532 [0,0,0,1,0,0|3,0,0]=4 324 B7R1.8 CN1CC[C@H]1CN SY284568 [0,0,0,1,0,0|3,0,0]=4 325 B7R1.10 CC1CC(CO)C1 SY217481 [0,0,0,1,0,0|2,0,0]=3 326 B7R1.10 CCC1CC(=O)C1 SY200344 [0,0,0,1,0,0|2,0,1]=4 327 B7R1.10 CCN1CC(O)C1 SY017236 [0,0,0,1,0,0|3,0,0]=4 328 B7R1.10 CCN1CC(O)C1 SY025661 [0,0,0,1,0,0|3,0,0]=4 329 B7R1.10 CN1CC(CO)C1 SY233850 [0,0,0,1,0,0|3,0,0]=4 330 B7R1.10 CNC1CN(C)C1 SY031560 [0,0,0,1,0,0|3,0,0]=4 331 B7R1.10 CO[C@H]1C[C@H](N)C1 SY100296 [0,0,0,1,0,0|3,0,0]=4 332 B7R1.10 NC1CC(CO)C1 SY098739 [0,0,0,1,0,0|3,0,0]=4 333 B7R1.10 NCC1CC(O)C1 SY098741 [0,0,0,1,0,0|3,0,0]=4 334 B7R1.10 NC[C@H]1C[C@@H](O)C1 SY098823 [0,0,0,1,0,0|3,0,0]=4 335 B7R1.10 N[C@H]1C[C@H](CO)C1 SY038401 [0,0,0,1,0,0|3,0,0]=4 336 B7R1.10 O=C1CC(CBr)O1 SY250803 [0,0,0,1,0,0|2,0,1]=4 337 B7R1.21 N#CCC1(N)CC1 SY271817 [0,0,0,1,0,0|2,0,1]=4 338 B7R1.22 C#CC(N)C1CC1 SY226575 [0,0,0,1,0,0|1,0,2]=4 339 B7R1.22 C#CC(N)C1CC1 SY233668 [0,0,0,1,0,0|1,0,2]=4 340 B7R1.22 C=C[C@H](O)[C@H]1CO1 SY268637 [0,0,0,1,0,0|1,0,2]=4 341 B7R1.22 NC(CO)C1CC1 SY285678 [0,0,0,1,0,0|2,0,0]=3 342 B7R1.25 C#CC1(N)CCC1 SY130115 [0,0,0,1,0,0|1,0,2]=4 343 B7R1.25 C#CC1(O)COC1 SY097262 [0,0,0,1,0,0|1,0,2]=4 344 B7R1.25 CC1(CBr)CCC1 SY265178 [0,0,0,1,0,0|2,0,0]=3 345 B7R1.25 CC1(CBr)COC1 SY008845 [0,0,0,1,0,0|3,0,0]=4 346 B7R1.25 CC1(CI)COC1 SY041717 [0,0,0,1,0,0|3,0,0]=4 347 B7R1.25 CC1(CN)CCC1 SY042130 [0,0,0,1,0,0|2,0,0]=3 348 B7R1.25 CC1(CN)COC1 SY008846 [0,0,0,1,0,0|3,0,0]=4 349 B7R1.25 CC1(CO)CNC1 SY037707 [0,0,0,1,0,0|3,0,0]=4 350 B7R1.25 CC1(CO)COC1 SY004123 [0,0,0,1,0,0|3,0,0]=4 351 B7R1.25 COC1(C)CNC1 SY042211 [0,0,0,1,0,0|3,0,0]=4 352 B7R1.25 FC1(CBr)COC1 SY111193 [0,0,0,1,0,0|3,0,0]=4 353 B7R1.25 N#CC1(O)CCC1 SY129254 [0,0,0,1,0,0|1,0,1]=3 354 B7R1.25 NC1(CO)CCC1 SY098454 [0,0,0,1,0,0|2,0,0]=3 355 B7R1.25 NC1(CO)CCC1 SY140856 [0,0,0,1,0,0|2,0,0]=3 356 B7R1.25 NC1(CO)COC1 SY047678 [0,0,0,1,0,0|3,0,0]=4 357 B7R1.25 NCC1(F)COC1 SY045010 [0,0,0,1,0,0|3,0,0]=4 358 B7R1.25 NCC1(O)CCC1 SY097074 [0,0,0,1,0,0|1,0,0]=2 359 B7R1.25 NCC1(O)COC1 SY097214 [0,0,0,1,0,0|2,0,0]=3 360 B7R1.25 OCC1(F)CNC1 SY198808 [0,0,0,1,0,0|3,0,0]=4 361 B7R1.25 OCC1(F)COC1 SY098627 [0,0,0,1,0,0|3,0,0]=4 362 B4R0.1 CC(N)CBr SY268996 [2,0,0,0,0,0|2,0,0]=4 363 B4R0.1 CC(N)CF SY045872 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.1 CC(S)CO SY195125 [2,0,0,0,0,0|1,1,0]=4 365 B4R0.1 CCB(O)O SY004385 [2,0,0,0,0,0|2,0,0]=4 366 B4R0.1 CC[C@H](C)N SY059203 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.1 C[C@@H](Cl)CO SY240135 [2,0,0,0,0,0|2,0,0]=4 368 B4R0.1 C[C@@H](N)CF SY044783 [2,0,0,0,0,0|2,0,0]=4 369 B4R0.1 C[C@@H](O)CN SY002691 [2,0,0,0,0,0|1,0,0]=3 370 B4R0.1 C[C@@H](O)CO SY003769 [2,0,0,0,0,0|1,0,0]=3 371 B4R0.1 C[C@H](N)CF SY044781 [2,0,0,0,0,0|2,0,0]=4 372 B4R0.1 C[C@H](O)CO SY003770 [2,0,0,0,0,0|1,0,0]=3 373 B4R0.2 BrCCCI SY288042 [2,0,0,0,0,0|2,0,0]=4 374 B4R0.2 CCCNN SY048075 [2,0,0,0,0,0|2,0,0]=4 375 B4R0.2 CCCON SY096737 [2,0,0,0,0,0|2,0,0]=4 376 B4R0.2 CNCCBr SY044997 [2,0,0,0,0,0|2,0,0]=4 377 B4R0.2 CNCCF SY122542 [2,0,0,0,0,0|2,0,0]=4 378 B4R0.2 CNCCN SY023647 [2,0,0,0,0,0|2,0,0]=4 379 B4R0.2 COCCI SY248715 [2,0,0,0,0,0|2,0,0]=4 380 B4R0.2 ClCCCI SY031611 [2,0,0,0,0,0|2,0,0]=4 381 B4R0.2 FCCCI SY025148 [2,0,0,0,0,0|2,0,0]=4 382 B4R0.2 ICCCI SY045006 [2,0,0,0,0,0|2,0,0]=4 383 B4R0.2 N#CCCO SY005485 [2,0,0,0,0,0|1,0,1]=4 384 B4R0.2 NCCCBr SY008325 [2,0,0,0,0,0|2,0,0]=4 385 B4R0.2 NCCCCl SY001694 [2,0,0,0,0,0|2,0,0]=4 386 B4R0.2 NCCCI SY154270 [2,0,0,0,0,0|2,0,0]=4 387 B4R0.2 NOCCO SY007135 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.2 OCCCBr SY001898 [2,0,0,0,0,0|1,0,0]=3 389 B4R0.2 OCCCF SY033053 [2,0,0,0,0,0|1,0,0]=3 390 B4R0.2 OCCCI SY016401 [2,0,0,0,0,0|1,0,0]=3 391 B6R0.2 CC(C)CB(O)O SY002441 [1,1,0,0,0,0|2,0,0]=4 392 B6R0.2 CC(C)NC(C)C SY110478 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.2 CC(C)NC(C)C SY235485 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.2 CC(C)[NH2+]C(C)C SY037975 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.2 CC(N)CC(=O)O SY022577 [1,1,0,0,0,0|1,0,1]=4 396 B6R0.2 C[C@@H](N)CC(=O)O SY019803 [1,1,0,0,0,0|1,0,1]=4 397 B6R0.2 C[C@@H](N)CC(=O)O SY025783 [1,1,0,0,0,0|1,0,1]=4 398 B6R0.2 C[C@@H](O)CC(=O)[O-] SY107283 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.2 C[C@H](N)CC(=O)O SY022578 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.2 C[C@H](N)CC(=O)O SY025782 [1,1,0,0,0,0|1,0,1]=4 401 B6R0.2 C[C@H](O)C[C@H](C)O SY066746 [1,1,0,0,0,0|0,0,0]=2 402 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [1,1,0,0,0,0|0,0,2]=4 403 B6R0.3 CC(C)C(N)CF SY045876 [1,1,0,0,0,0|2,0,0]=4 404 B6R0.3 CC(C)C(N)CO SY006455 [1,1,0,0,0,0|2,0,0]=4 405 B6R0.3 CC(C)[C@@H](N)CF SY045875 [1,1,0,0,0,0|2,0,0]=4 406 B6R0.3 CC(C)[C@@H](N)CO SY006320 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.3 CC(C)[C@H](N)CF SY045871 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.3 CC(C)[C@H](N)CO SY003828 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.3 CCC(C)B(O)O SY030879 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.3 CCC(N)C(=O)O SY005223 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.3 CC[C@H](N)C(=O)O SY002291 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.3 CC[C@H](O)C(=O)O SY066872 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [1,1,0,0,0,0|1,0,0]=3 418 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [1,1,0,0,0,0|1,0,0]=3 419 B6R0.4 C=CCC[C@H](C)O SY307699 [1,1,0,0,0,0|0,0,1]=3 420 B6R0.4 CC(=O)CCCO SY002852 [1,1,0,0,0,0|0,0,2]=4 421 B6R0.4 CC(C)CCCO SY016761 [1,1,0,0,0,0|1,0,0]=3 422 B6R0.4 CC(C)CCNN SY048082 [1,1,0,0,0,0|2,0,0]=4 423 B6R0.4 CC(C)CCON SY045359 [1,1,0,0,0,0|2,0,0]=4 424 B6R0.4 CC(C)CCON SY281670 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.4 CC(C)NCCCl SY028925 [1,1,0,0,0,0|2,0,0]=4 426 B6R0.4 CC(C)OCCBr SY031858 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.4 CC(Cl)CCCO SY207412 [1,1,0,0,0,0|1,0,0]=3 428 B6R0.4 CC(O)CCCO SY239899 [1,1,0,0,0,0|0,0,0]=2 429 B6R0.4 CCCCB(O)O SY012742 [1,1,0,0,0,0|2,0,0]=4 430 B6R0.4 CN(C)CCCBr SY016763 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.4 CN(C)CCCCl SY006370 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.4 CN(C)CCCCl SY021395 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.4 CN(C)CCCI SY247760 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.4 CN(C)CCCI SY247768 [1,1,0,0,0,0|2,0,0]=4 435 B6R0.4 CNCCC(=O)O SY005345 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.4 CNCCC(=O)O SY112486 [1,1,0,0,0,0|1,0,1]=4 437 B6R0.4 COCCC(=O)O SY028921 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.4 O=C(O)CCCBr SY001501 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.5 CC(C)(C)CCBr SY031960 [1,1,0,0,0,0|2,0,0]=4 440 B6R0.5 CC(C)(C)CCN SY123555 [1,1,0,0,0,0|2,0,0]=4 441 B6R0.5 CC(C)(I)CCO SY248398 [1,1,0,0,0,0|2,0,0]=4 442 B6R0.5 CC(C)(N)CCO SY025601 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.5 CC(C)(N)CCO SY029973 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.5 CC(C)(O)CCBr SY043014 [1,1,0,0,0,0|1,0,0]=3 445 B6R0.5 CC(C)(O)CON SY164879 [1,1,0,0,0,0|2,0,0]=4 446 B6R0.5 CNCC(C)(C)O SY123563 [1,1,0,0,0,0|1,0,0]=3 447 B6R0.5 COCC(C)(C)N SY023626 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.5 COCC(C)(C)N SY026408 [1,1,0,0,0,0|2,0,0]=4 449 B6R0.5 COCC(C)(C)O SY285974 [1,1,0,0,0,0|1,0,0]=3 450 B6R0.5 CSCC(C)(C)N SY196988 [1,1,0,0,0,0|2,0,0]=4 451 B6R0.6 BrCCCCCBr SY004544 [1,1,0,0,0,0|1,0,0]=3 452 B6R0.6 BrCCNCCBr SY018108 [1,1,0,0,0,0|2,0,0]=4 453 B6R0.6 C#CCCCCI SY047667 [1,1,0,0,0,0|0,0,2]=4 454 B6R0.6 C#CCCCCN SY069749 [1,1,0,0,0,0|0,0,2]=4 455 B6R0.6 C#CCCCCO SY020332 [1,1,0,0,0,0|0,0,2]=4 456 B6R0.6 C=CCCCCO SY020861 [1,1,0,0,0,0|0,0,2]=4 457 B6R0.6 CCCCCNN SY048085 [1,1,0,0,0,0|1,0,0]=3 458 B6R0.6 CCCCCON SY281671 [1,1,0,0,0,0|1,0,0]=3 459 B6R0.6 CCCCCON SY281672 [1,1,0,0,0,0|1,0,0]=3 460 B6R0.6 CCCCOCCl SY264650 [1,1,0,0,0,0|1,0,0]=3 461 B6R0.6 CCNCCCO SY023800 [1,1,0,0,0,0|1,0,0]=3 462 B6R0.6 CCOCCNN SY048091 [1,1,0,0,0,0|2,0,0]=4 463 B6R0.6 CNCCCCO SY117259 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.6 COCCCCCl SY015495 [1,1,0,0,0,0|1,0,0]=3 465 B6R0.6 COCCCNN SY048087 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.6 COCCCON SY201326 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.6 COCCCON SY281583 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.6 COCOCCN SY250694 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.6 C\C=C\CCCO SY066633 [1,1,0,0,0,0|0,0,2]=4 470 B6R0.6 ClCCCCCBr SY048983 [1,1,0,0,0,0|1,0,0]=3 471 B6R0.6 ICCCCCI SY048751 [1,1,0,0,0,0|1,0,0]=3 472 B6R0.6 N#CCCCCCl SY004990 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.6 N#CCCCCN SY040472 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.6 NCCCCCO SY049614 [1,1,0,0,0,0|1,0,0]=3 475 B6R0.6 NCCOCCBr SY261989 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.6 NCCOCCN SY052726 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.6 O=CCCCCCl SY024458 [1,1,0,0,0,0|1,0,1]=4 478 B6R0.6 O=CCCCCO SY047027 [1,1,0,0,0,0|1,0,1]=4 479 B6R0.6 OCCCCCCl SY050042 [1,1,0,0,0,0|1,0,0]=3 480 B6R0.6 OCCOCCBr SY145932 [1,1,0,0,0,0|2,0,0]=4 481 B6R0.8 CC(O)(CO)CO SY224166 [1,1,0,0,0,0|2,0,0]=4 482 B6R0.9 CCC(C#N)CC SY059782 [1,1,0,0,0,0|1,0,0]=3 483 B6R0.9 CCC(CC)NC SY023477 [1,1,0,0,0,0|1,0,0]=3 484 B6R0.9 CCN(CC)N=O SY053647 [1,1,0,0,0,0|1,0,1]=4 485 B6R0.9 COC(CO)OC SY122147 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.9 OCC(CO)CO SY026482 [1,1,0,0,0,0|2,0,0]=4 487 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O SY275536 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O SY075986 [0,2,0,0,0,0|1,0,1]=4 489 B8R0.2 COC(=O)C(O)C(C)N SY295220 [0,2,0,0,0,0|1,0,1]=4 490 B8R0.5 CCOC(=O)CC(C)Br SY018207 [0,2,0,0,0,0|0,0,2]=4 491 B8R0.5 CCOC(=O)C[C@@H](C)O SY017544 [0,2,0,0,0,0|0,0,2]=4 492 B8R0.5 CCOC(=O)C[C@H](C)N SY254086 [0,2,0,0,0,0|0,0,2]=4 493 B8R0.16 COC(CC(C)O)OC SY029601 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.19 COC(=O)C[C@H](O)CO SY018663 [0,2,0,0,0,0|1,0,1]=4 495 B8R0.23 CC(C)C[C@@H](O)C(=O)O SY066416 [0,2,0,0,0,0|1,0,1]=4 496 B8R0.23 CC(C)C[C@H](O)C(=O)O SY066744 [0,2,0,0,0,0|1,0,1]=4 497 B8R0.1 CCOC(=O)CCCI SY014641 [0,2,0,0,0,0|0,0,2]=4 498 B8R0.1 CCOC(=O)CCCN SY015028 [0,2,0,0,0,0|0,0,2]=4 499 B8R0.1 CCOC(=O)CCCO SY263197 [0,2,0,0,0,0|0,0,2]=4 500 B8R0.1 CCOC(=O)CCNC SY019659 [0,2,0,0,0,0|0,0,2]=4 501 B8R0.3 CCOC(=O)C(N)CC SY013355 [0,2,0,0,0,0|0,0,2]=4 502 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO SY067421 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.3 O=CC[C@H](O)[C@H](O)CO SY023057 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.6 C#C[C@@H](O)CCCCC SY029413 [0,2,0,0,0,0|0,0,2]=4 505 B8R0.6 N#CC(O)CCCCO SY028469 [0,2,0,0,0,0|1,0,1]=4 506 B8R0.9 CCC(=O)NCC(C)C SY034683 [0,2,0,0,0,0|0,0,2]=4 507 B8R0.9 CCC(Cl)CCC(=O)Cl SY027792 [0,2,0,0,0,0|1,0,1]=4 508 B8R0.11 CCN(CC)CCCCl SY041969 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.11 CCN(CC)CCCO SY051543 [0,2,0,0,0,0|2,0,0]=4 510 B8R0.11 COC(CCCBr)OC SY059218 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.14 CC(C)(O)[C@H](F)CCO SY041495 [0,2,0,0,0,0|2,0,0]=4 512 B8R0.15 CCCC(OC)C(=O)O SY057656 [0,2,0,0,0,0|1,0,0]=3 513 B8R0.15 CCOC(CC)C(=O)O SY057654 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.22 C#CC(OCC)OCC SY007404 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.22 CCCC(C#N)CCC SY059783 [0,2,0,0,0,0|1,0,0]=3 516 B8R0.22 CCCC(CC)CNN SY048093 [0,2,0,0,0,0|1,0,0]=3 517 B8R0.22 CCOC(C#N)OCC SY036025 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.22 CCOC(CO)OCC SY002893 [0,2,0,0,0,0|1,0,0]=3 519 B8R0.30 CCOP(=O)(O)OCC SY111669 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.13 CC(C)(CO)[C@@H](O)CO SY292445 [0,2,0,0,0,0|2,0,0]=4 521 B6R1.2 CC1=NCCC1 SY015490 [1,0,0,1,0,0|1,0,1]=4 522 B6R1.2 CC1CCCN1 SY042657 [1,0,0,1,0,0|1,0,0]=3 523 B6R1.2 C[C@@H]1CCCN1 SY019809 [1,0,0,1,0,0|1,0,0]=3 524 B6R1.2 C[C@@H]1CCNC1 SY097390 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.2 C[C@H]1CCCN1 SY019821 [1,0,0,1,0,0|1,0,0]=3 526 B6R1.2 C[C@H]1CCNC1 SY097402 [1,0,0,1,0,0|2,0,0]=4 527 B6R1.2 C[S+]1CCCC1 SY251130 [1,0,0,1,0,0|2,0,0]=4 528 B6R1.2 ClC1CCOC1 SY185690 [1,0,0,1,0,0|2,0,0]=4 529 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [1,0,0,1,0,0|2,0,0]=4 530 B6R1.2 FC1CCNC1 SY032538 [1,0,0,1,0,0|2,0,0]=4 531 B6R1.2 F[C@@H]1CCNC1 SY008511 [1,0,0,1,0,0|2,0,0]=4 532 B6R1.2 F[C@H]1CCNC1 SY008512 [1,0,0,1,0,0|2,0,0]=4 533 B6R1.2 IC1CCCC1 SY019127 [1,0,0,1,0,0|1,0,0]=3 534 B6R1.2 IC1CCOC1 SY042009 [1,0,0,1,0,0|2,0,0]=4 535 B6R1.2 NC1CCNC1 SY005919 [1,0,0,1,0,0|2,0,0]=4 536 B6R1.2 NC1CCOC1 SY003277 [1,0,0,1,0,0|2,0,0]=4 537 B6R1.2 NC1CCOC1 SY042059 [1,0,0,1,0,0|2,0,0]=4 538 B6R1.2 N[C@@H]1CCOC1 SY020665 [1,0,0,1,0,0|2,0,0]=4 539 B6R1.2 N[C@@H]1CCOC1 SY024464 [1,0,0,1,0,0|2,0,0]=4 540 B6R1.2 N[C@H]1CCNC1 SY057131 [1,0,0,1,0,0|2,0,0]=4 541 B6R1.2 N[C@H]1CCOC1 SY020664 [1,0,0,1,0,0|2,0,0]=4 542 B6R1.2 N[C@H]1CCOC1 SY024406 [1,0,0,1,0,0|2,0,0]=4 543 B6R1.2 OC1CC=CC1 SY007884 [1,0,0,1,0,0|0,0,2]=4 544 B6R1.2 OC1CCCO1 SY016132 [1,0,0,1,0,0|1,0,0]=3 545 B6R1.2 OC1CCNC1 SY001203 [1,0,0,1,0,0|1,0,0]=3 546 B6R1.2 OC1CCNC1 SY003143 [1,0,0,1,0,0|1,0,0]=3 547 B6R1.2 OC1CCOC1 SY003288 [1,0,0,1,0,0|1,0,0]=3 548 B6R1.2 OC1CCSC1 SY185762 [1,0,0,1,0,0|1,0,0]=3 549 B6R1.2 O[C@@H]1CCNC1 SY003191 [1,0,0,1,0,0|1,0,0]=3 550 B6R1.2 O[C@@H]1CCNC1 SY018523 [1,0,0,1,0,0|1,0,0]=3 551 B6R1.2 O[C@@H]1CCOC1 SY016904 [1,0,0,1,0,0|1,0,0]=3 552 B6R1.2 O[C@@H]1CNOC1 SY021787 [1,0,0,1,0,0|2,0,0]=4 553 B6R1.2 O[C@H]1CCNC1 SY003190 [1,0,0,1,0,0|1,0,0]=3 554 B6R1.2 O[C@H]1CCNC1 SY007382 [1,0,0,1,0,0|1,0,0]=3 555 B6R1.2 O[C@H]1CCOC1 SY003096 [1,0,0,1,0,0|1,0,0]=3 556 B6R1.2 O[C@H]1CNOC1 SY021785 [1,0,0,1,0,0|2,0,0]=4 557 B6R1.3 BrCCC1CC1 SY023093 [1,0,0,1,0,0|2,0,0]=4 558 B6R1.3 BrCCC1CO1 SY021183 [1,0,0,1,0,0|1,0,0]=3 559 B6R1.3 CCNC1CC1 SY027577 [1,0,0,1,0,0|2,0,0]=4 560 B6R1.3 CCNC1CC1 SY027695 [1,0,0,1,0,0|2,0,0]=4 561 B6R1.3 CNCC1CC1 SY029533 [1,0,0,1,0,0|2,0,0]=4 562 B6R1.3 CNCC1CC1 SY029534 [1,0,0,1,0,0|2,0,0]=4 563 B6R1.3 NCCC1CC1 SY042128 [1,0,0,1,0,0|2,0,0]=4 564 B6R1.3 OCCC1CC1 SY041938 [1,0,0,1,0,0|2,0,0]=4 565 B6R1.5 CC1CC(O)C1 SY203262 [1,0,0,1,0,0|0,0,0]=2 566 B6R1.5 CN1CC(N)C1 SY022763 [1,0,0,1,0,0|2,0,0]=4 567 B6R1.5 CN1CC(O)C1 SY017235 [1,0,0,1,0,0|1,0,0]=3 568 B6R1.5 CN1CC(O)C1 SY029236 [1,0,0,1,0,0|1,0,0]=3 569 B6R1.5 C[C@H]1C[C@H](C)N1 SY310795 [1,0,0,1,0,0|1,0,0]=3 570 B6R1.5 NC1CC(F)C1 SY097608 [1,0,0,1,0,0|2,0,0]=4 571 B6R1.5 NC1CC(O)C1 SY016148 [1,0,0,1,0,0|1,0,0]=3 572 B6R1.5 NC1CC(O)C1 SY025077 [1,0,0,1,0,0|1,0,0]=3 573 B6R1.5 N[C@H]1C[C@@H](O)C1 SY035914 [1,0,0,1,0,0|1,0,0]=3 574 B6R1.5 N[C@H]1C[C@@H](O)C1 SY039961 [1,0,0,1,0,0|1,0,0]=3 575 B6R1.5 N[C@H]1C[C@H](F)C1 SY099957 [1,0,0,1,0,0|2,0,0]=4 576 B6R1.5 N[C@H]1C[C@H](O)C1 SY035915 [1,0,0,1,0,0|1,0,0]=3 577 B6R1.5 OC1CC(O)C1 SY233801 [1,0,0,1,0,0|1,0,0]=3 578 B6R1.10 CC1(C)CCN1 SY310792 [1,0,0,1,0,0|2,0,0]=4 579 B6R1.10 CC1(C)CNC1 SY026161 [1,0,0,1,0,0|2,0,0]=4 580 B6R1.10 CC1(F)CNC1 SY042333 [1,0,0,1,0,0|2,0,0]=4 581 B6R1.10 CC1(N)CCC1 SY025586 [1,0,0,1,0,0|1,0,0]=3 582 B6R1.10 CC1(N)COC1 SY051262 [1,0,0,1,0,0|2,0,0]=4 583 B6R1.10 CC1(N)COC1 SY097567 [1,0,0,1,0,0|2,0,0]=4 584 B6R1.10 CC1(O)CCC1 SY196215 [1,0,0,1,0,0|0,0,0]=2 585 B6R1.10 CC1(O)CNC1 SY035860 [1,0,0,1,0,0|1,0,0]=3 586 B6R1.10 CC1(O)CNC1 SY111204 [1,0,0,1,0,0|1,0,0]=3 587 B6R1.10 CC1(O)COC1 SY097550 [1,0,0,1,0,0|1,0,0]=3 588 B6R1.11 CC(N)C1CC1 SY023598 [1,0,0,1,0,0|1,0,0]=3 589 B6R1.11 C[C@@H](N)C1CC1 SY111958 [1,0,0,1,0,0|1,0,0]=3 590 B6R1.11 C[C@H](N)C1CC1 SY099127 [1,0,0,1,0,0|1,0,0]=3 591 B6R1.11 OB(O)C1CC1 SY004028 [1,0,0,1,0,0|2,0,0]=4 592 B6R1.1 C1CCNNC1 SY028291 [1,0,0,1,0,0|2,0,0]=4 593 B6R1.1 C1CCONC1 SY105413 [1,0,0,1,0,0|2,0,0]=4 594 B6R1.1 C1COCCN1 SY059143 [1,0,0,1,0,0|2,0,0]=4 595 B6R1.1 C1CSCCN1 SY033134 [1,0,0,1,0,0|2,0,0]=4 596 B6R1.1 C1CSCSC1 SY014110 [1,0,0,1,0,0|2,0,0]=4 597 B6R1.4 CC1CCC1O SY161762 [1,0,0,1,0,0|1,0,0]=3 598 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [1,0,0,1,0,0|2,0,0]=4 599 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [1,0,0,1,0,0|2,0,0]=4 600 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [1,0,0,1,0,0|2,0,0]=4 601 B6R1.4 OC1CCC1O SY301012 [1,0,0,1,0,0|2,0,0]=4 602 B6R1.6 BrCC1CNC1 SY267476 [1,0,0,1,0,0|2,0,0]=4 603 B6R1.6 BrCC1COC1 SY059797 [1,0,0,1,0,0|2,0,0]=4 604 B6R1.6 CNC1COC1 SY047195 [1,0,0,1,0,0|2,0,0]=4 605 B6R1.6 COC1CNC1 SY021482 [1,0,0,1,0,0|2,0,0]=4 606 B6R1.6 FCC1CNC1 SY127600 [1,0,0,1,0,0|2,0,0]=4 607 B6R1.6 ICC1CCC1 SY073415 [1,0,0,1,0,0|1,0,0]=3 608 B6R1.6 NCC1CCC1 SY035875 [1,0,0,1,0,0|1,0,0]=3 609 B6R1.6 NCC1CCO1 SY035857 [1,0,0,1,0,0|2,0,0]=4 610 B6R1.6 NCC1COC1 SY025447 [1,0,0,1,0,0|2,0,0]=4 611 B6R1.6 NCC1COC1 SY098725 [1,0,0,1,0,0|2,0,0]=4 612 B6R1.6 NC[C@@H]1CCO1 SY250609 [1,0,0,1,0,0|2,0,0]=4 613 B6R1.6 NC[C@H]1CCO1 SY262606 [1,0,0,1,0,0|2,0,0]=4 614 B6R1.6 O=CC1CCC1 SY019700 [1,0,0,1,0,0|1,0,1]=4 615 B6R1.6 OCC1CCO1 SY042053 [1,0,0,1,0,0|2,0,0]=4 616 B6R1.6 OCC1CNC1 SY024106 [1,0,0,1,0,0|2,0,0]=4 617 B6R1.6 OCC1COC1 SY009472 [1,0,0,1,0,0|2,0,0]=4 618 B6R1.6 OC[C@@H]1CCO1 SY270417 [1,0,0,1,0,0|2,0,0]=4 619 B6R1.7 CC1(CN)CC1 SY029652 [1,0,0,1,0,0|2,0,0]=4 620 B6R1.7 CC1(CO)CC1 SY029659 [1,0,0,1,0,0|2,0,0]=4 621 B6R1.7 NC1(CF)CC1 SY040347 [1,0,0,1,0,0|2,0,0]=4 622 B6R1.7 NC1(CO)CC1 SY017513 [1,0,0,1,0,0|2,0,0]=4 623 B6R1.7 NC1(CO)CC1 SY047102 [1,0,0,1,0,0|2,0,0]=4 624 B6R1.7 NCC1(O)CC1 SY040047 [1,0,0,1,0,0|1,0,0]=3 625 B6R1.7 NCC1(O)CC1 SY102292 [1,0,0,1,0,0|1,0,0]=3 626 B6R1.7 OCC1(F)CC1 SY123971 [1,0,0,1,0,0|2,0,0]=4 627 B6R1.7 OCC1(O)CC1 SY123956 [1,0,0,1,0,0|1,0,0]=3 628 B8R1.1 CCC1CCC(=O)O1 SY015382 [0,1,0,1,0,0|0,0,1]=3 629 B8R1.1 CCN1CCC(O)C1 SY036930 [0,1,0,1,0,0|0,0,0]=2 630 B8R1.1 CN1CCC(CCl)C1 SY026835 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.1 CN1CCC(CO)C1 SY023473 [0,1,0,1,0,0|1,0,0]=3 632 B8R1.1 CN1CC[C@@H](CO)C1 SY259236 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.1 CO[C@H]1CCN(C)C1 SY275508 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 SY252911 [0,1,0,1,0,0|0,0,0]=2 635 B8R1.1 NC[C@@H]1CC[C@H](O)C1 SY252910 [0,1,0,1,0,0|0,0,0]=2 636 B8R1.1 NN1CCC(CO)C1 SY308387 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.1 O=C1CCC(CBr)O1 SY250804 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.1 O=C1CC[C@@H](CO)O1 SY010497 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SY069048 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.4 CC1CC(O)CCO1 SY023229 [0,1,0,1,0,0|0,0,0]=2 641 B8R1.4 CC1CCCC(=O)N1 SY033090 [0,1,0,1,0,0|0,0,2]=4 642 B8R1.4 CC1CCCC(=O)O1 SY048899 [0,1,0,1,0,0|0,0,2]=4 643 B8R1.4 CC1CCNC(=O)C1 SY033089 [0,1,0,1,0,0|0,0,2]=4 644 B8R1.4 CC1CNCC(O)C1 SY208218 [0,1,0,1,0,0|0,0,0]=2 645 B8R1.4 CC1COCC(C)N1 SY022781 [0,1,0,1,0,0|2,0,0]=4 646 B8R1.4 CN1CCCC(=O)C1 SY023480 [0,1,0,1,0,0|0,0,2]=4 647 B8R1.4 CN1CCCC(Br)C1 SY007127 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.4 CN1CCCC(N)C1 SY022779 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.4 CN1CCCC(O)C1 SY224914 [0,1,0,1,0,0|0,0,0]=2 650 B8R1.4 CN1CCC[C@@H](N)C1 SY035248 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.4 CN1CCC[C@H](N)C1 SY035249 [0,1,0,1,0,0|1,0,0]=3 652 B8R1.4 C[C@@H]1CC(=O)CCN1 SY259242 [0,1,0,1,0,0|0,0,2]=4 653 B8R1.4 C[C@@H]1CN(C)CCN1 SY253626 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 SY002764 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY014272 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SY044731 [0,1,0,1,0,0|2,0,0]=4 657 B8R1.4 C[C@@H]1CNC[C@H](C)C1 SY023084 [0,1,0,1,0,0|1,0,0]=3 658 B8R1.4 C[C@@H]1COC[C@@H](C)N1 SY240361 [0,1,0,1,0,0|2,0,0]=4 659 B8R1.4 C[C@H]1CC(=O)CCN1 SY234011 [0,1,0,1,0,0|0,0,2]=4 660 B8R1.4 C[C@H]1CCCC(=O)C1 SY290780 [0,1,0,1,0,0|0,0,2]=4 661 B8R1.4 C[C@H]1CN(C)CCN1 SY102190 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SY003478 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.4 C[C@H]1CNC[C@H](C)O1 SY025495 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY039555 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.4 C[C@H]1COC[C@@H](C)N1 SY097636 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.4 C[C@H]1COC[C@H](C)N1 SY039541 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.4 C[C@H]1COC[C@H](C)N1 SY240351 [0,1,0,1,0,0|2,0,0]=4 668 B8R1.4 NC1CCCC(N)C1 SY288495 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.4 NC1CCCC(O)C1 SY027772 [0,1,0,1,0,0|0,0,0]=2 670 B8R1.4 NC1CNCC(O)C1 SY272543 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY033397 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.4 N[C@H]1CCC[C@@H](N)C1 SY111796 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.4 O=C1CC(O)CCN1 SY029027 [0,1,0,1,0,0|1,0,1]=4 674 B8R1.4 O=C1C[C@H](O)CCN1 SY238615 [0,1,0,1,0,0|1,0,1]=4 675 B8R1.18 CC1CC(=O)OC1C SY262129 [0,1,0,1,0,0|0,0,2]=4 676 B8R1.51 CC1(C)CCC(=O)C1 SY043145 [0,1,0,1,0,0|0,0,2]=4 677 B8R1.51 CC1(O)CCC(N)C1 SY268988 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.51 CN1CCC(C)(C)C1 SY275505 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.51 C[C@@]1(O)CC[C@H](N)C1 SY284838 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.51 NC1CCC(F)(F)C1 SY039476 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.51 O=S1(=O)CCC(O)C1 SY122163 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.2 BrCC1CCCNC1 SY029332 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.2 BrCC1CCNCC1 SY007097 [0,1,0,1,0,0|2,0,0]=4 684 B8R1.2 BrCC1CCNCC1 SY029312 [0,1,0,1,0,0|2,0,0]=4 685 B8R1.2 BrCC1CCOCC1 SY002686 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.2 BrC[C@@H]1COCCO1 SY274810 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.2 C#CC1CCCOC1 SY259701 [0,1,0,1,0,0|0,0,2]=4 688 B8R1.2 C#CC1CCNCC1 SY097779 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.2 C#CC1CCOCC1 SY097241 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.2 C#CC1CNCCO1 SY284821 [0,1,0,1,0,0|0,0,2]=4 691 B8R1.2 CNC1CCNCC1 SY016945 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.2 CNC1CCNCC1 SY016946 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.2 CNC1CCOCC1 SY013416 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.2 CNC1CCOCC1 SY016841 [0,1,0,1,0,0|2,0,0]=4 695 B8R1.2 COC1CCCNC1 SY041935 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.2 COC1CCCNC1 SY104362 [0,1,0,1,0,0|1,0,0]=3 697 B8R1.2 COC1CCNCC1 SY003146 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.2 COC1CCNCC1 SY020458 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.2 CO[C@H]1CCCNC1 SY098191 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.2 ClCC1CCNCC1 SY029313 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.2 ICC1CCCCC1 SY027725 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.2 ICC1CCNCC1 SY029333 [0,1,0,1,0,0|2,0,0]=4 703 B8R1.2 ICC1CCOCC1 SY041962 [0,1,0,1,0,0|2,0,0]=4 704 B8R1.2 N#CC1CCCNC1 SY004324 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.2 N#CC1CCNCC1 SY002496 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.2 N#CC1CCOCC1 SY021355 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.2 N#CC1CCSCC1 SY019840 [0,1,0,1,0,0|2,0,0]=4 708 B8R1.2 N#CC1CNCCO1 SY114773 [0,1,0,1,0,0|1,0,1]=4 709 B8R1.2 NCC1CCCCC1 SY001137 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.2 NCC1CCCCO1 SY003242 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.2 NCC1CCCOC1 SY020076 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.2 NCC1CCOCC1 SY001214 [0,1,0,1,0,0|2,0,0]=4 713 B8R1.2 NCC1CNCCO1 SY005409 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.2 NCC1COCCO1 SY035253 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.2 NC[C@@H]1COCCO1 SY044998 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.2 NC[C@H]1COCCO1 SY035251 [0,1,0,1,0,0|1,0,0]=3 717 B8R1.2 NNC1CCOCC1 SY010716 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.2 NNC1CCOCC1 SY023220 [0,1,0,1,0,0|2,0,0]=4 719 B8R1.2 NOC1CCCCO1 SY004632 [0,1,0,1,0,0|1,0,0]=3 720 B8R1.2 O=CC1CCCCN1 SY239012 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.2 O=CC1CCSCC1 SY014498 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.2 O=CC1COCCO1 SY277014 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.2 OCC1CC=CCC1 SY036929 [0,1,0,1,0,0|0,0,2]=4 724 B8R1.2 OCC1CCC=CO1 SY051074 [0,1,0,1,0,0|1,0,1]=4 725 B8R1.2 OCC1CCCCC1 SY002783 [0,1,0,1,0,0|0,0,0]=2 726 B8R1.2 OCC1CCCCN1 SY009271 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.2 OCC1CCCCO1 SY003220 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.2 OCC1CCOCC1 SY002701 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.2 OCC1CCSCC1 SY019602 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.2 OCC1CNCCO1 SY107412 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.2 OCC1COCCN1 SY003798 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.2 OCC1COCCO1 SY019310 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.2 OC[C@@H]1CCCCN1 SY105311 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.2 OC[C@@H]1CCCNC1 SY067329 [0,1,0,1,0,0|1,0,0]=3 735 B8R1.2 OC[C@@H]1CCCNC1 SY068903 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.2 OC[C@@H]1CNCCO1 SY029745 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.2 OC[C@@H]1CNCCO1 SY129054 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.2 OC[C@@H]1COCCN1 SY022551 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.2 OC[C@@H]1COCCN1 SY029258 [0,1,0,1,0,0|2,0,0]=4 740 B8R1.2 OC[C@@H]1COCCO1 SY033160 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.2 OC[C@H]1CCC=CO1 SY257768 [0,1,0,1,0,0|1,0,1]=4 742 B8R1.2 OC[C@H]1CCCNC1 SY027077 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.2 OC[C@H]1CCCNC1 SY069039 [0,1,0,1,0,0|1,0,0]=3 744 B8R1.2 OC[C@H]1CNCCO1 SY024785 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.2 OC[C@H]1CNCCO1 SY102185 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.2 OC[C@H]1COCCN1 SY024782 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.2 OC[C@H]1COCCO1 SY033161 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.2 ON=C1CCCCC1 SY011165 [0,1,0,1,0,0|0,0,1]=3 749 B8R1.2 [C-]#[N+]C1CCOCC1 SY263033 [0,1,0,1,0,0|2,0,0]=4 750 B8R1.3 CC1CNC(C)CN1 SY002107 [0,1,0,1,0,0|2,0,0]=4 751 B8R1.3 CN1CCC(Br)CC1 SY033799 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.3 CN1CCC(F)CC1 SY275512 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.3 C[C@H]1CC[C@@H](N)CC1 SY235531 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.3 C[C@H]1CC[C@H](N)CC1 SY022606 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.3 C[C@H]1CC[C@H](N)CC1 SY025288 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.3 C[C@H]1CC[C@H](O)CC1 SY043391 [0,1,0,1,0,0|0,0,0]=2 757 B8R1.3 C[C@H]1CO[C@@H](C)CN1 SY039550 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.3 NC1CCC(=O)CC1 SY017243 [0,1,0,1,0,0|0,0,2]=4 759 B8R1.3 NC1CCC(N)CC1 SY112211 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.3 NC1CCC(O)CC1 SY021212 [0,1,0,1,0,0|0,0,0]=2 761 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY016229 [0,1,0,1,0,0|0,0,0]=2 762 B8R1.3 N[C@H]1CC[C@@H](O)CC1 SY020495 [0,1,0,1,0,0|0,0,0]=2 763 B8R1.3 N[C@H]1CC[C@H](O)CC1 SY004216 [0,1,0,1,0,0|0,0,0]=2 764 B8R1.3 O=C1CCC(Br)CC1 SY275581 [0,1,0,1,0,0|0,0,2]=4 765 B8R1.3 O=C1CCC(O)CC1 SY005938 [0,1,0,1,0,0|0,0,1]=3 766 B8R1.3 O=C1CCC(O)CN1 SY034611 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.3 O=C1CC[C@H](O)CN1 SY107535 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.3 OC1CCC(O)CC1 SY001809 [0,1,0,1,0,0|0,0,0]=2 769 B8R1.3 OC1COC(O)CO1 SY014400 [0,1,0,1,0,0|2,0,0]=4 770 B8R1.3 OC1CSC(O)CS1 SY003519 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.3 O[C@H]1CC[C@H](O)CC1 SY040970 [0,1,0,1,0,0|0,0,0]=2 772 B8R1.5 CC1CCCCC1N SY001916 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.5 CC1CNCCN1C SY016183 [0,1,0,1,0,0|2,0,0]=4 774 B8R1.5 CC1COCCC1=O SY023092 [0,1,0,1,0,0|0,0,2]=4 775 B8R1.5 C[C@@H]1CCCC[C@@H]1N SY037542 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.5 C[C@@H]1CNCCN1C SY033048 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.5 C[C@@H]1NCCN[C@@H]1C SY274005 [0,1,0,1,0,0|2,0,0]=4 778 B8R1.5 C[C@@H]1NCCN[C@H]1C SY275439 [0,1,0,1,0,0|2,0,0]=4 779 B8R1.5 C[C@H]1CCCC[C@H]1N SY037541 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.5 C[C@H]1CNCCN1C SY023797 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.5 N[C@@H]1CCCC[C@@H]1O SY046252 [0,1,0,1,0,0|0,0,0]=2 782 B8R1.5 N[C@@H]1CCCC[C@H]1N SY001269 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.5 N[C@@H]1CCCC[C@H]1N SY076505 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026108 [0,1,0,1,0,0|0,0,0]=2 785 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026111 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.5 N[C@@H]1CCCC[C@H]1O SY026112 [0,1,0,1,0,0|0,0,0]=2 787 B8R1.5 N[C@@H]1CCCC[C@H]1O SY127907 [0,1,0,1,0,0|0,0,0]=2 788 B8R1.5 N[C@@H]1CCOC[C@H]1F SY099041 [0,1,0,1,0,0|2,0,0]=4 789 B8R1.5 N[C@@H]1CCOC[C@H]1O SY259261 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.5 N[C@@H]1COCC[C@H]1O SY044939 [0,1,0,1,0,0|1,0,0]=3 791 B8R1.5 N[C@H]1CCCC[C@@H]1N SY004140 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026110 [0,1,0,1,0,0|0,0,0]=2 793 B8R1.5 N[C@H]1CCCC[C@@H]1O SY026117 [0,1,0,1,0,0|0,0,0]=2 794 B8R1.5 N[C@H]1CCCC[C@H]1O SY014948 [0,1,0,1,0,0|0,0,0]=2 795 B8R1.5 N[C@H]1CCOC[C@@H]1O SY241084 [0,1,0,1,0,0|1,0,0]=3 796 B8R1.5 O=C1CCCCC1Cl SY038921 [0,1,0,1,0,0|0,0,2]=4 797 B8R1.5 O=C1NCCCC1O SY110845 [0,1,0,1,0,0|1,0,1]=4 798 B8R1.5 OC1CCOCC1F SY099042 [0,1,0,1,0,0|1,0,0]=3 799 B8R1.5 O[C@@H]1CCCC[C@H]1O SY019731 [0,1,0,1,0,0|0,0,0]=2 800 B8R1.5 O[C@@H]1CCCC[C@H]1S SY268159 [0,1,0,1,0,0|0,0,0]=2 801 B8R1.5 O[C@@H]1CCNC[C@H]1F SY043299 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.5 O[C@@H]1CNCC[C@H]1F SY038539 [0,1,0,1,0,0|1,0,0]=3 803 B8R1.5 O[C@@H]1CNNC[C@H]1O SY263540 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.5 O[C@@H]1CSSC[C@H]1O SY274619 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.22 CC1CCNCCN1 SY033449 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.22 CC1CNCCCO1 SY124393 [0,1,0,1,0,0|2,0,0]=4 807 B8R1.22 CN1CCCNCC1 SY002818 [0,1,0,1,0,0|2,0,0]=4 808 B8R1.22 FC1CNCCNC1 SY264756 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.22 N[C@H]1CCCNCC1 SY280406 [0,1,0,1,0,0|1,0,0]=3 810 B8R1.22 O=C1CCCCNC1 SY040205 [0,1,0,1,0,0|0,0,2]=4 811 B8R1.22 O=C1CCCNCC1 SY017922 [0,1,0,1,0,0|0,0,2]=4 812 B8R1.22 O=C1CCCOCC1 SY036485 [0,1,0,1,0,0|0,0,2]=4 813 B8R1.22 OC1CCCOCC1 SY036492 [0,1,0,1,0,0|0,0,0]=2 814 B8R1.50 CN1C(=O)CCC1O SY040014 [0,1,0,1,0,0|1,0,1]=4 815 B8R1.52 CC1(CBr)OCCO1 SY002392 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.52 CC1(CN)CCOC1 SY042173 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.52 CC1(CN)OCCO1 SY059032 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.52 CC1(CO)CCNC1 SY072280 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.52 CC1(CO)CCOC1 SY149881 [0,1,0,1,0,0|2,0,0]=4 820 B8R1.52 CCC1(O)CCCC1 SY052912 [0,1,0,1,0,0|0,0,0]=2 821 B8R1.52 CC[N+]1(C)CCCC1 SY047227 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.52 COC1(C)OCCO1 SY235413 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.52 NC1(CO)CCCC1 SY002988 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.52 NC1(CO)CCNC1 SY036023 [0,1,0,1,0,0|2,0,0]=4 825 B8R1.7 CC(=O)C1CCCC1 SY035519 [0,1,0,1,0,0|1,0,1]=4 826 B8R1.7 CC(C)[C@@H]1CCCN1 SY099556 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.7 FC(F)C1CCCN1 SY039463 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.7 NC(=O)C1CCCO1 SY012530 [0,1,0,1,0,0|1,0,1]=4 829 B8R1.7 O=C(Cl)C1CCCO1 SY084361 [0,1,0,1,0,0|1,0,1]=4 830 B8R1.7 O=C(O)[C@@H]1CCCO1 SY016392 [0,1,0,1,0,0|1,0,1]=4 831 B8R1.7 OC(=S)[C@@H]1CCCO1 SY299828 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.19 CC1(C)CCCC1Br SY167402 [0,1,0,1,0,0|1,0,0]=3 833 B8R1.19 CC1(C)CNC[C@H]1O SY284254 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.19 NC1CCCC1(F)F SY047796 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.19 OC1CNCC1(F)F SY233893 [0,1,0,1,0,0|2,0,0]=4 836 B8R1.37 CCOC(=N)C1CC1 SY056676 [0,1,0,1,0,0|1,0,1]=4 837 B8R1.54 CC(Br)C(=O)C1CC1 SY034182 [0,1,0,1,0,0|0,0,2]=4 838 B8R1.78 CC(N)C1(C)CCC1 SY263613 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.78 O=C(O)C1(O)CCC1 SY042594 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.6 CCNC1CN(C)C1 SY023943 [0,1,0,1,0,0|2,0,0]=4 841 B8R1.8 BrCCN1CCCC1 SY040483 [0,1,0,1,0,0|2,0,0]=4 842 B8R1.8 CCO[C@@H]1CCNC1 SY011689 [0,1,0,1,0,0|2,0,0]=4 843 B8R1.8 CCO[C@H]1CCNC1 SY108177 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.8 CNCC1CCNC1 SY294056 [0,1,0,1,0,0|2,0,0]=4 845 B8R1.8 COCC1CCCN1 SY122813 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.8 COC[C@H]1CCCN1 SY013140 [0,1,0,1,0,0|1,0,0]=3 847 B8R1.8 ClCCC1CCCC1 SY036243 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.8 ClCCN1CCCC1 SY013128 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.8 NCCC1OCCO1 SY052592 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.8 OCCC1CCCC1 SY032290 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.11 C#CC1CCCC1O SY007474 [0,1,0,1,0,0|0,0,1]=3 852 B8R1.11 C#CC1CCCN1C SY277506 [0,1,0,1,0,0|2,0,0]=4 853 B8R1.11 C#C[C@@H]1CCC[C@@H]1O SY224509 [0,1,0,1,0,0|0,0,1]=3 854 B8R1.11 C#C[C@@H]1CCC[C@H]1O SY122583 [0,1,0,1,0,0|0,0,1]=3 855 B8R1.11 CN1CCCC1CN SY065143 [0,1,0,1,0,0|2,0,0]=4 856 B8R1.11 CN1CCC[C@@H]1CO SY023398 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.11 CN1CCC[C@H]1CO SY004710 [0,1,0,1,0,0|1,0,0]=3 858 B8R1.11 CO[C@@H]1CNC[C@@H]1F SY124372 [0,1,0,1,0,0|2,0,0]=4 859 B8R1.11 NC1CCCC1CO SY284162 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.11 NCC1CCCC1=O SY158694 [0,1,0,1,0,0|0,0,2]=4 861 B8R1.11 NCC1CCCC1N SY043206 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.11 NCC1CCCC1O SY188444 [0,1,0,1,0,0|0,0,0]=2 863 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277380 [0,1,0,1,0,0|1,0,0]=3 864 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277519 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.11 OC[C@@H]1CNC[C@H]1O SY277520 [0,1,0,1,0,0|1,0,0]=3 866 B8R1.66 N#CCC1(O)CCC1 SY129261 [0,1,0,1,0,0|0,0,1]=3 867 B8R1.66 OCCC1(O)CCC1 SY208467 [0,1,0,1,0,0|0,0,0]=2 868 B8R1.48 OCC1CCC1(F)F SY098181 [0,1,0,1,0,0|2,0,0]=4 869 B8R1.72 CC1(Br)CCOCC1 SY232990 [0,1,0,1,0,0|2,0,0]=4 870 B8R1.72 CC1(C)CCNCC1 SY023190 [0,1,0,1,0,0|2,0,0]=4 871 B8R1.72 CC1(C)CCNCC1 SY025578 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.72 CC1(F)CCNCC1 SY038544 [0,1,0,1,0,0|2,0,0]=4 873 B8R1.72 CC1(N)CCNCC1 SY108162 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.72 CC1(N)CCOCC1 SY025330 [0,1,0,1,0,0|2,0,0]=4 875 B8R1.72 CC1(O)CCCNC1 SY245913 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.72 CC1(O)CCNCC1 SY008477 [0,1,0,1,0,0|1,0,0]=3 877 B8R1.72 CC1(O)CCNCC1 SY024786 [0,1,0,1,0,0|1,0,0]=3 878 B8R1.72 CC1(O)CCOCC1 SY110761 [0,1,0,1,0,0|1,0,0]=3 879 B8R1.72 C[C@]1(O)CCCNC1 SY294261 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.72 Cl[Si]1(Cl)CCCCC1 SY265417 [0,1,0,1,0,0|1,1,0]=4 881 B8R1.72 FC1(F)CCCNC1 SY027548 [0,1,0,1,0,0|2,0,0]=4 882 B8R1.72 FC1(F)CCNCC1 SY011557 [0,1,0,1,0,0|2,0,0]=4 883 B8R1.72 FC1(F)CCNCC1 SY011558 [0,1,0,1,0,0|2,0,0]=4 884 B8R1.33 NCC(CO)C1CC1 SY202889 [0,1,0,1,0,0|1,0,0]=3 885 B8R1.60 CCC1(CO)COC1 SY052629 [0,1,0,1,0,0|1,0,0]=3 886 B8R1.60 NCC1(CO)CCC1 SY041987 [0,1,0,1,0,0|1,0,0]=3 887 B8R1.60 OCC1(CBr)COC1 SY042004 [0,1,0,1,0,0|2,0,0]=4 888 B8R1.60 OCC1(CO)CCC1 SY096960 [0,1,0,1,0,0|1,0,0]=3 889 B8R1.60 OCC1(CO)CNC1 SY027929 [0,1,0,1,0,0|2,0,0]=4 890 B8R1.60 OCC1(CO)COC1 SY042207 [0,1,0,1,0,0|2,0,0]=4 891 B8R2.11 BrC1C2COCC12 SY292987 [0,0,0,2,0,0|2,0,0]=4 892 B8R2.11 OC1C2CNCC12 SY253261 [0,0,0,2,0,0|1,0,0]=3 893 B8R2.11 OC1C2CNCC12 SY284496 [0,0,0,2,0,0|1,0,0]=3 894 B8R2.11 OC1C2COCC12 SY292988 [0,0,0,2,0,0|1,0,0]=3 895 B8R2.11 [C@H]12COC[C@H]1[C@@H]2N SY097361 [0,0,0,2,0,0|2,0,0]=4 896 B8R2.34 C1CC2CC1CN2 SY097467 [0,0,0,2,0,0|1,0,0]=3 897 B8R2.34 C1CC2CCC1N2 SY020142 [0,0,0,2,0,0|1,0,0]=3 898 B8R2.34 C1OC2CNC1C2 SY039544 [0,0,0,2,0,0|1,0,0]=3 899 B8R2.34 C1OC2CNC1C2 SY042104 [0,0,0,2,0,0|1,0,0]=3 900 B8R2.34 C1O[C@@H]2CN[C@H]1C2 SY020085 [0,0,0,2,0,0|1,0,0]=3 901 B8R2.34 C1O[C@H]2CN[C@@H]1C2 SY027151 [0,0,0,2,0,0|1,0,0]=3 902 B8R2.34 [C@@H]12CC[C@@H](CN1)C2 SY270533 [0,0,0,2,0,0|1,0,0]=3 903 B8R2.55 C1CC2(CC2)CN1 SY042290 [0,0,0,2,0,0|2,0,0]=4 904 B8R2.55 C1CCC2(C1)CO2 SY197069 [0,0,0,2,0,0|2,0,0]=4 905 B8R2.18 CN1CC2CC2C1 SY275513 [0,0,0,2,0,0|2,0,0]=4 906 B8R2.38 [C@@H]12CC[C@@H](O)[C@@H]1C2 SY274832 [0,0,0,2,0,0|0,0,0]=2 907 B8R2.23 C1NCC2CC1C2 SY233831 [0,0,0,2,0,0|2,0,0]=4 908 B8R2.25 C1CC2OC2CO1 SY098970 [0,0,0,2,0,0|1,0,0]=3 909 B8R2.25 C1CNC2CC2C1 SY211945 [0,0,0,2,0,0|2,0,0]=4 910 B8R2.42 C1CC2(C1)CNC2 SY035871 [0,0,0,2,0,0|2,0,0]=4 911 B8R2.42 C1CC2(C1)CNC2 SY118878 [0,0,0,2,0,0|2,0,0]=4 912 B8R2.42 C1CC2(CNC2)O1 SY131088 [0,0,0,2,0,0|1,0,0]=3 913 B8R2.31 NCC12CC(C1)C2 SY281279 [0,0,0,2,0,0|2,0,0]=4 914 B8R2.31 OCC12CC(C1)C2 SY074270 [0,0,0,2,0,0|2,0,0]=4