0 B5R0.2 C#CCCCO SY007472 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCCOC SY261977 [0,0,0,0,0,0|1,1,1]=3 2 B5R0.2 C=CCCCCl SY115227 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C=CCCCN SY039810 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.2 C=CCCON SY201687 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 C=CCCON SY281557 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 CCC#CCBr SY045110 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 CCC#CCO SY048461 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.2 CCCCNN SY048097 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.2 CCCCON SY013356 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 CCCCON SY019069 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.2 CNCCSC SY020435 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.2 COCCNN SY048076 [0,0,0,0,0,0|1,1,0]=2 13 B5R0.2 ClCCCCI SY049669 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.2 ICCCCI SY037746 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.2 N#CCCC=O SY273827 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.2 N#CCCCBr SY012834 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.2 N#CCCCCl SY001790 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.2 NCCCCBr SY113500 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.2 NCCCCN SY004150 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.2 NCCCCO SY001196 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 NCCCON SY273643 [0,0,0,0,0,0|1,1,0]=2 22 B5R0.2 NC\C=C\CCl SY261867 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.2 NOCCCO SY204344 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.2 NOCCCO SY281570 [0,0,0,0,0,0|2,1,0]=3 25 B5R0.2 [N-]=[N+]=NCCCl SY267103 [0,0,0,0,0,0|4,0,0]=4 26 B4R0.2 BrCCCI SY288042 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 BrCOCBr SY231337 [1,0,0,0,0,0|3,0,0]=4 28 B4R0.2 C#CCCI SY026540 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.2 C#CCCN SY007229 [1,0,0,0,0,0|0,0,2]=3 30 B4R0.2 C=CCCN SY036713 [1,0,0,0,0,0|0,0,2]=3 31 B4R0.2 C=CCNN SY076022 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.2 C=CCON SY029026 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CC=CC[Pd+2] SY070788 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.2 CCCNN SY048075 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 CCCON SY096737 [1,0,0,0,0,0|1,0,0]=2 36 B4R0.2 CCOC=N SY041120 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.2 CNCC#N SY003939 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 CNCCBr SY044997 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 CNCCF SY122542 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 CNCCN SY023647 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 COCC#N SY003878 [1,0,0,0,0,0|0,1,2]=4 42 B4R0.2 COCCI SY248715 [1,0,0,0,0,0|1,1,0]=3 43 B4R0.2 ClCCCI SY031611 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.2 FCCCI SY025148 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.2 ICCCI SY045006 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 N#CCCO SY005485 [1,0,0,0,0,0|0,1,2]=4 47 B4R0.2 NCCCBr SY008325 [1,0,0,0,0,0|1,0,0]=2 48 B4R0.2 NCCCCl SY001694 [1,0,0,0,0,0|1,0,0]=2 49 B4R0.2 NCCCI SY154270 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.2 NOCCO SY007135 [1,0,0,0,0,0|1,1,0]=3 51 B4R0.2 OCCCBr SY001898 [1,0,0,0,0,0|1,1,0]=3 52 B4R0.2 OCCCF SY033053 [1,0,0,0,0,0|1,1,0]=3 53 B4R0.2 OCCCI SY016401 [1,0,0,0,0,0|1,1,0]=3 54 B6R0.1 C=CC(O)CCC SY048915 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CCC(=O)COC SY190908 [0,1,0,0,0,0|1,1,1]=4 56 B6R0.1 CCCC(=O)NN SY060413 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.1 CCCC(C)CN SY271841 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.1 CCCC(O)CO SY032914 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.1 CCC[C@@H](N)CF SY045881 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 CCC[C@@H](N)CO SY038521 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.1 CCC[C@H](N)CF SY045882 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 CCC[C@H](N)CO SY017944 [0,1,0,0,0,0|2,0,0]=3 63 B6R0.1 CCOC(=O)CN SY002226 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.1 CCOC(=S)SC SY261921 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.1 CNC(=O)CCO SY083761 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 CNC[C@@H](O)CO SY294795 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 COC(=O)CCBr SY002337 [0,1,0,0,0,0|1,1,1]=4 68 B6R0.1 COC(=O)CCN SY004831 [0,1,0,0,0,0|0,1,1]=3 69 B6R0.1 COC(=O)CCO SY008913 [0,1,0,0,0,0|1,1,1]=4 70 B6R0.1 COCC(=O)NN SY109583 [0,1,0,0,0,0|1,1,1]=4 71 B6R0.1 COC[C@@H](O)CN SY236677 [0,1,0,0,0,0|0,1,0]=2 72 B6R0.1 COC[C@H](O)CN SY199877 [0,1,0,0,0,0|0,1,0]=2 73 B6R0.1 N#CC[C@@H](O)CCl SY037767 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.1 N#CC[C@H](O)CCl SY037768 [0,1,0,0,0,0|3,0,0]=4 75 B6R0.1 NCCC(O)CO SY260308 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,1,0,0,0,0|3,0,0]=4 77 B6R0.1 OCCC(O)CO SY003295 [0,1,0,0,0,0|3,0,0]=4 78 B6R0.1 OCC[C@H](O)CO SY274042 [0,1,0,0,0,0|3,0,0]=4 79 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.4 C#CCCN(C)C SY261953 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.4 C=CCC[C@H](C)O SY307699 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.4 CC(=O)CCCO SY002852 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.4 CC(=O)NCCN SY313725 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.4 CC(C)CCCO SY016761 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.4 CC(C)CCNN SY048082 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.4 CC(C)CCON SY045359 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.4 CC(C)CCON SY281670 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.4 CC(C)NCCCl SY028925 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.4 CC(C)OCCBr SY031858 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.4 CC(Cl)CCCO SY207412 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.4 CC(O)CCCO SY239899 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.4 CCCCB(O)O SY012742 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.4 CCCCC(=N)N SY020380 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.4 CCCCC(=N)N SY020382 [0,1,0,0,0,0|1,0,1]=3 95 B6R0.4 CCCOC(N)=O SY114484 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.4 CN(C)CCC=O SY022382 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.4 CN(C)CCCBr SY016763 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.4 CN(C)CCCCl SY006370 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.4 CN(C)CCCCl SY021395 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.4 CN(C)CCCI SY247760 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.4 CN(C)CCCI SY247768 [0,1,0,0,0,0|2,0,0]=3 102 B6R0.4 CNCCC(=O)O SY005345 [0,1,0,0,0,0|2,0,1]=4 103 B6R0.4 CNCCC(=O)O SY112486 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.4 COCCC(=N)N SY185487 [0,1,0,0,0,0|0,1,1]=3 105 B6R0.4 COCCC(=O)O SY028921 [0,1,0,0,0,0|1,1,1]=4 106 B6R0.4 NCCCC(N)=O SY174709 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.4 NCCO[N+](=O)[O-] SY274700 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.4 NCCO[N+](=O)[O-] SY276711 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.4 O=C(O)CCCBr SY001501 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.4 O=[N+]([O-])CCCBr SY266570 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.4 O=[N+]([O-])CCCCl SY266515 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.4 O=[N+]([O-])CCCO SY211657 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.6 BrCCCCCBr SY004544 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.6 BrCCNCCBr SY018108 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.6 C#CCCCCI SY047667 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.6 C#CCCCCN SY069749 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.6 C#CCCCCO SY020332 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.6 C=CCCCCO SY020861 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.6 C=CCCCON SY281553 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.6 C=CCCCON SY281554 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.6 C=COCCON SY014040 [0,1,0,0,0,0|1,1,1]=4 122 B6R0.6 CCCCCNN SY048085 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.6 CCCCCON SY281671 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.6 CCCCCON SY281672 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.6 CCCCOCCl SY264650 [0,1,0,0,0,0|1,1,0]=3 126 B6R0.6 CCNCCCO SY023800 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.6 CCOCCNN SY048091 [0,1,0,0,0,0|1,1,0]=3 128 B6R0.6 CNCCCCO SY117259 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.6 COCCCCCl SY015495 [0,1,0,0,0,0|1,1,0]=3 130 B6R0.6 COCCCNN SY048087 [0,1,0,0,0,0|0,1,0]=2 131 B6R0.6 COCCCON SY201326 [0,1,0,0,0,0|0,1,0]=2 132 B6R0.6 COCCCON SY281583 [0,1,0,0,0,0|0,1,0]=2 133 B6R0.6 COCCN=[N+]=[N-] SY262046 [0,1,0,0,0,0|1,1,1]=4 134 B6R0.6 COCOCCN SY250694 [0,1,0,0,0,0|0,1,0]=2 135 B6R0.6 C\C=C\CCCO SY066633 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.6 ClCCCCCBr SY048983 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.6 ICCCCCI SY048751 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.6 N#CCCCCCl SY004990 [0,1,0,0,0,0|1,0,2]=4 139 B6R0.6 N#CCCCCN SY040472 [0,1,0,0,0,0|1,0,1]=3 140 B6R0.6 NCCCCCO SY049614 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.6 NCCOCCBr SY261989 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.6 NCCOCCN SY052726 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.6 O=CCCCCCl SY024458 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.6 O=CCCCCO SY047027 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.6 O=CNCCCO SY261924 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.6 OCCCCCCl SY050042 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.6 OCCOCCBr SY145932 [0,1,0,0,0,0|3,0,0]=4 148 B6R1.1 C1=CCNCC1 SY020557 [0,0,0,1,0,0|1,0,1]=3 149 B6R1.1 C1CCNNC1 SY028291 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.1 C1CCONC1 SY105413 [0,0,0,1,0,0|2,0,0]=3 151 B6R1.1 C1COCCN1 SY059143 [0,0,0,1,0,0|2,0,0]=3 152 B6R1.1 C1CSCCN1 SY033134 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.1 C1CSCSC1 SY014110 [0,0,0,1,0,0|1,0,0]=2 154 B6R1.2 C=C1CCNC1 SY038558 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.2 CC1=NCCC1 SY015490 [0,0,0,1,0,0|1,0,1]=3 156 B6R1.2 CC1CCCN1 SY042657 [0,0,0,1,0,0|1,0,0]=2 157 B6R1.2 CN1CCNC1 SY251230 [0,0,0,1,0,0|3,0,0]=4 158 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 C[C@H]1CCCN1 SY019821 [0,0,0,1,0,0|1,0,0]=2 161 B6R1.2 C[C@H]1CCNC1 SY097402 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.2 C[S+]1CCCC1 SY251130 [0,0,0,1,0,0|1,0,1]=3 163 B6R1.2 ClC1CCOC1 SY185690 [0,0,0,1,0,0|1,1,0]=3 164 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 FC1CCNC1 SY032538 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 F[C@H]1CCNC1 SY008512 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 IC1CCCC1 SY019127 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 IC1CCOC1 SY042009 [0,0,0,1,0,0|1,1,0]=3 170 B6R1.2 NC1=NCCC1 SY030217 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.2 NC1CC=CC1 SY019807 [0,0,0,1,0,0|1,0,1]=3 172 B6R1.2 NC1CCNC1 SY005919 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.2 NC1CCOC1 SY003277 [0,0,0,1,0,0|0,1,0]=2 174 B6R1.2 NC1CCOC1 SY042059 [0,0,0,1,0,0|0,1,0]=2 175 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,0,0,1,0,0|0,1,0]=2 176 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,0,0,1,0,0|0,1,0]=2 177 B6R1.2 N[C@H]1CCNC1 SY057131 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.2 N[C@H]1CCOC1 SY020664 [0,0,0,1,0,0|0,1,0]=2 179 B6R1.2 N[C@H]1CCOC1 SY024406 [0,0,0,1,0,0|0,1,0]=2 180 B6R1.2 O=C1CCNC1 SY019727 [0,0,0,1,0,0|2,0,1]=4 181 B6R1.2 O=C1CCNN1 SY073624 [0,0,0,1,0,0|3,0,0]=4 182 B6R1.2 O=C1CCOC1 SY003100 [0,0,0,1,0,0|1,1,1]=4 183 B6R1.2 O=C1NCCO1 SY003480 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.2 O=C1NCCS1 SY037960 [0,0,0,1,0,0|3,0,0]=4 185 B6R1.2 OC1CC=CC1 SY007884 [0,0,0,1,0,0|2,0,1]=4 186 B6R1.2 OC1CCCO1 SY016132 [0,0,0,1,0,0|3,0,0]=4 187 B6R1.2 OC1CCNC1 SY001203 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.2 OC1CCNC1 SY003143 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.2 OC1CCOC1 SY003288 [0,0,0,1,0,0|1,1,0]=3 190 B6R1.2 OC1CCSC1 SY185762 [0,0,0,1,0,0|1,0,0]=2 191 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,0,0,1,0,0|1,1,0]=3 194 B6R1.2 O[C@@H]1CNOC1 SY021787 [0,0,0,1,0,0|2,1,0]=4 195 B6R1.2 O[C@H]1CCNC1 SY003190 [0,0,0,1,0,0|2,0,0]=3 196 B6R1.2 O[C@H]1CCNC1 SY007382 [0,0,0,1,0,0|2,0,0]=3 197 B6R1.2 O[C@H]1CCOC1 SY003096 [0,0,0,1,0,0|1,1,0]=3 198 B6R1.2 O[C@H]1CNOC1 SY021785 [0,0,0,1,0,0|2,1,0]=4 199 B6R1.3 BrCCC1CC1 SY023093 [0,0,0,1,0,0|2,0,0]=3 200 B6R1.3 BrCCC1CO1 SY021183 [0,0,0,1,0,0|1,1,0]=3 201 B6R1.3 CCNC1CC1 SY027577 [0,0,0,1,0,0|3,0,0]=4 202 B6R1.3 CCNC1CC1 SY027695 [0,0,0,1,0,0|3,0,0]=4 203 B6R1.3 CNCC1CC1 SY029533 [0,0,0,1,0,0|2,0,0]=3 204 B6R1.3 CNCC1CC1 SY029534 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.3 N#CCC1CC1 SY058947 [0,0,0,1,0,0|1,0,2]=4 206 B6R1.3 NCCC1CC1 SY042128 [0,0,0,1,0,0|1,0,0]=2 207 B6R1.3 NNCC1CC1 SY013383 [0,0,0,1,0,0|2,0,0]=3 208 B6R1.3 NNCC1CC1 SY042147 [0,0,0,1,0,0|2,0,0]=3 209 B6R1.3 NOCC1CC1 SY101356 [0,0,0,1,0,0|2,0,0]=3 210 B6R1.3 OCCC1CC1 SY041938 [0,0,0,1,0,0|2,0,0]=3 211 B6R1.4 CC1CCC1O SY161762 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [0,0,0,1,0,0|3,0,0]=4 213 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [0,0,0,1,0,0|3,0,0]=4 214 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,0,0,1,0,0|3,0,0]=4 215 B6R1.4 O=C1CCC1Br SY234041 [0,0,0,1,0,0|3,0,0]=4 216 B6R1.4 OC1CCC1O SY301012 [0,0,0,1,0,0|3,0,0]=4 217 B6R1.6 BrCC1CNC1 SY267476 [0,0,0,1,0,0|2,0,0]=3 218 B6R1.6 BrCC1COC1 SY059797 [0,0,0,1,0,0|1,1,0]=3 219 B6R1.6 C#CC1CCO1 SY284813 [0,0,0,1,0,0|2,0,1]=4 220 B6R1.6 C#CC1CNC1 SY233830 [0,0,0,1,0,0|2,0,1]=4 221 B6R1.6 C#CC1CNC1 SY284819 [0,0,0,1,0,0|2,0,1]=4 222 B6R1.6 C#CC1COC1 SY234079 [0,0,0,1,0,0|1,1,1]=4 223 B6R1.6 CNC1COC1 SY047195 [0,0,0,1,0,0|2,1,0]=4 224 B6R1.6 COC1CNC1 SY021482 [0,0,0,1,0,0|2,1,0]=4 225 B6R1.6 FCC1CNC1 SY127600 [0,0,0,1,0,0|2,0,0]=3 226 B6R1.6 ICC1CCC1 SY073415 [0,0,0,1,0,0|2,0,0]=3 227 B6R1.6 N#CC1CNC1 SY032760 [0,0,0,1,0,0|1,0,2]=4 228 B6R1.6 N#CC1COC1 SY226783 [0,0,0,1,0,0|0,1,2]=4 229 B6R1.6 NCC1CCC1 SY035875 [0,0,0,1,0,0|1,0,0]=2 230 B6R1.6 NCC1CCO1 SY035857 [0,0,0,1,0,0|2,0,0]=3 231 B6R1.6 NCC1COC1 SY025447 [0,0,0,1,0,0|0,1,0]=2 232 B6R1.6 NCC1COC1 SY098725 [0,0,0,1,0,0|0,1,0]=2 233 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,0,0,1,0,0|2,0,0]=3 234 B6R1.6 NC[C@H]1CCO1 SY262606 [0,0,0,1,0,0|2,0,0]=3 235 B6R1.6 O=CC1CCC1 SY019700 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.6 O=CC1COC1 SY097875 [0,0,0,1,0,0|1,1,1]=4 237 B6R1.6 OCC1CCO1 SY042053 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.6 OCC1CNC1 SY024106 [0,0,0,1,0,0|2,0,0]=3 239 B6R1.6 OCC1COC1 SY009472 [0,0,0,1,0,0|1,1,0]=3 240 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,0,0,1,0,0|3,0,0]=4 241 B3R0.1 CCON SY009566 [2,0,0,0,0,0|1,0,0]=3 242 B3R0.1 CNOC SY001763 [2,0,0,0,0,0|1,1,0]=4 243 B3R0.1 COCBr SY029084 [2,0,0,0,0,0|1,1,0]=4 244 B3R0.1 C[Se][Se]C SY048201 [2,0,0,0,0,0|1,1,0]=4 245 B3R0.1 FCCI SY024380 [2,0,0,0,0,0|2,0,0]=4 246 B3R0.1 ICCI SY045649 [2,0,0,0,0,0|2,0,0]=4 247 B3R0.1 NCCF SY009337 [2,0,0,0,0,0|1,0,0]=3 248 B3R0.1 NCCI SY155633 [2,0,0,0,0,0|1,0,0]=3 249 B5R0.1 CC(=O)CCN SY263173 [1,1,0,0,0,0|0,0,1]=3 250 B5R0.1 CC(=O)CCO SY002849 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.1 CC(C)CON SY013358 [1,1,0,0,0,0|1,0,0]=3 252 B5R0.1 CC(N)CCF SY299085 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.1 CC(N)CCO SY030187 [1,1,0,0,0,0|0,1,0]=3 254 B5R0.1 CC(O)CCBr SY216789 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.1 CCCB(O)O SY030878 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.1 CCC[C@@H](C)O SY045083 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.1 CCNC(C)=O SY016499 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.1 CN(C)CCBr SY004492 [1,1,0,0,0,0|2,0,0]=4 259 B5R0.1 CN(C)CCI SY219257 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.1 CN(C)CCI SY247759 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.1 CN(C)CCI SY247769 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.1 CNCC(C)O SY083968 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.1 CNCC(F)F SY181997 [1,1,0,0,0,0|2,0,0]=4 264 B5R0.1 CNCC(N)=O SY059741 [1,1,0,0,0,0|1,0,1]=4 265 B5R0.1 CNC[C@H](C)O SY131109 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.1 COCC(=N)N SY019943 [1,1,0,0,0,0|0,1,1]=4 267 B5R0.1 COCC(C)Br SY074290 [1,1,0,0,0,0|0,1,0]=3 268 B5R0.1 COC[C@@H](C)N SY034826 [1,1,0,0,0,0|0,1,0]=3 269 B5R0.1 COC[C@@H](C)N SY056838 [1,1,0,0,0,0|0,1,0]=3 270 B5R0.1 CSCC(N)=O SY040648 [1,1,0,0,0,0|0,0,1]=3 271 B5R0.1 CSCS(C)=O SY049552 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.1 C[C@@H](O)CCO SY049450 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.1 C[C@H](N)CC#N SY121969 [1,1,0,0,0,0|0,0,2]=4 274 B5R0.1 C[C@H](N)CC#N SY294704 [1,1,0,0,0,0|0,0,2]=4 275 B5R0.1 C[C@H](N)CCO SY022986 [1,1,0,0,0,0|0,1,0]=3 276 B5R0.1 NC(=O)CCBr SY014886 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.1 NCCC(N)=O SY024863 [1,1,0,0,0,0|0,1,1]=4 278 B5R0.1 NCCC(N)=O SY101590 [1,1,0,0,0,0|0,1,1]=4 279 B5R0.1 NCC[N+](=O)[O-] SY279282 [1,1,0,0,0,0|1,1,0]=4 280 B5R0.3 CC(CBr)CBr SY038831 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.3 CC(CI)CI SY248411 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.3 CCC(Br)CC SY050135 [1,1,0,0,0,0|1,0,0]=3 283 B5R0.3 CC[C@@H](N)CO SY049464 [1,1,0,0,0,0|1,0,0]=3 284 B5R0.3 CC[C@H](N)CF SY045883 [1,1,0,0,0,0|1,0,0]=3 285 B5R0.3 CNC(=O)CN SY024913 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.3 CNC(=O)CN SY066423 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.3 CNC(C)CO SY082195 [1,1,0,0,0,0|2,0,0]=4 288 B5R0.3 COC(=O)CN SY001589 [1,1,0,0,0,0|0,1,1]=4 289 B5R0.3 COC(C)CBr SY298794 [1,1,0,0,0,0|1,1,0]=4 290 B5R0.3 CO[C@@H](C)CN SY114788 [1,1,0,0,0,0|0,1,0]=3 291 B5R0.3 CSC(=N)NN SY023604 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.3 FCC(I)CF SY249443 [1,1,0,0,0,0|2,0,0]=4 293 B5R0.3 NCC(Br)CBr SY006726 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.3 NCC(F)CO SY260924 [1,1,0,0,0,0|0,1,0]=3 295 B5R0.3 NCC(O)CN SY013661 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.3 NC[C@@H](O)CO SY008127 [1,1,0,0,0,0|0,1,0]=3 297 B5R0.3 NC[C@H](O)CBr SY294054 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.3 NC[C@H](O)CCl SY060396 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.3 OC(CBr)CBr SY012889 [1,1,0,0,0,0|2,0,0]=4 300 B7R0.2 CC(C)CC(N)CF SY045878 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.2 CC(C)CC(N)CO SY030475 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.2 CC(C)C[C@@H](N)CO SY030474 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.2 CC(C)C[C@H](N)CO SY014112 [0,2,0,0,0,0|2,0,0]=4 304 B7R0.2 CCC(C)CC(C)N SY018617 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.2 COC(=O)C[C@@H](C)N SY024605 [0,2,0,0,0,0|0,1,1]=4 306 B7R0.2 COC(=O)C[C@@H](C)N SY024610 [0,2,0,0,0,0|0,1,1]=4 307 B7R0.2 COC(=O)C[C@H](C)N SY212047 [0,2,0,0,0,0|0,1,1]=4 308 B7R0.3 CCCCC(=O)NN SY078868 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.3 CCCCC(O)CO SY049796 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.3 CCCCN(C)CC SY311327 [0,2,0,0,0,0|2,0,0]=4 311 B7R0.3 CCCC[C@@H](N)CO SY038512 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.3 CCCC[C@H](N)CO SY038520 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.3 CNC(=O)CCCO SY126228 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.3 CNCCC(=O)NC SY029107 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.3 CNCCC(=O)OC SY019690 [0,2,0,0,0,0|0,1,1]=4 316 B7R0.3 COC(=O)CCCBr SY011922 [0,2,0,0,0,0|1,1,0]=4 317 B7R0.3 COC(=O)CCCI SY110660 [0,2,0,0,0,0|1,1,0]=4 318 B7R0.3 COC(=O)CCCN SY058513 [0,2,0,0,0,0|0,1,0]=3 319 B7R0.3 COC(=O)CCCO SY268958 [0,2,0,0,0,0|1,1,0]=4 320 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.5 CC(=O)C(C)CCBr SY247638 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.5 CC(C)C(=O)CCN SY263226 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.5 CC(C)C(N)CCO SY015880 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.5 CCCC(O)C(N)=O SY251045 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.5 NCCC(N)C(=O)O SY005642 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.7 CCCC(Br)CCC SY016752 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.7 CCCC(N)CCC SY024496 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.7 CCC[C@H](N)CCO SY117417 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.7 CCOC(=O)CCN SY001761 [0,2,0,0,0,0|0,1,1]=4 334 B7R0.7 COCC(O)COC SY021402 [0,2,0,0,0,0|1,1,0]=4 335 B7R0.7 OCCC(O)CCO SY284695 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.10 CC[C@H](C)[C@H](N)CF SY045877 [0,2,0,0,0,0|2,0,0]=4 337 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.10 COC(=O)C(O)CN SY029941 [0,2,0,0,0,0|0,1,1]=4 339 B7R0.10 COC(=O)[C@@H](F)CN SY277955 [0,2,0,0,0,0|0,1,1]=4 340 B7R0.12 NCCC(CO)CO SY309273 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.4 C#CCCCC(=N)N SY294770 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.4 C#CCCCN(C)C SY023025 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.4 CC(=O)OCCCCl SY106444 [0,2,0,0,0,0|1,1,0]=4 344 B7R0.4 CC(C)CCCCO SY083602 [0,2,0,0,0,0|2,0,0]=4 345 B7R0.4 CC(C)CCCON SY281839 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.4 CC(C)CCCON SY281840 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.4 CC(O)CSCCO SY269034 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.4 CCCCCC(N)=O SY051726 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.4 CCCCC[N+](=O)[O-] SY266558 [0,2,0,0,0,0|1,0,1]=4 350 B7R0.4 CCCNCC(C)C SY034221 [0,2,0,0,0,0|2,0,0]=4 351 B7R0.4 CN(C)CCCC#N SY028278 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.4 CNCCCC(=O)O SY032531 [0,2,0,0,0,0|2,0,0]=4 353 B7R0.4 COCCCC(=O)O SY045907 [0,2,0,0,0,0|1,1,0]=4 354 B7R0.4 COCCC[N+](=O)[O-] SY266522 [0,2,0,0,0,0|0,1,1]=4 355 B7R0.4 NC(=O)CCCCBr SY253590 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.4 NC(=O)CCCCCl SY184285 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.4 NCCCCC(=O)O SY002964 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.4 NCCCCC(N)=O SY247757 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.6 CC(=O)CCC(N)=O SY273013 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.6 CC(C)CCC(C)Br SY016753 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.6 C[C@@H](N)CCC(=O)O SY297613 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.6 C[C@H](N)CCC(=O)O SY297612 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.8 CC(C)(O)CCCN SY024445 [0,2,0,0,0,0|1,0,0]=3 364 B7R0.8 CCCCC(C)(C)O SY051607 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.8 CS(=O)(=O)CCCBr SY191290 [0,2,0,0,0,0|1,0,1]=4 366 B7R0.8 CS(=O)(=O)CCCN SY037728 [0,2,0,0,0,0|0,0,1]=3 367 B7R0.8 CS(=O)(=O)CCCO SY006812 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.8 C[N+](C)(C)CCCBr SY037983 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.8 NCCCC(F)(F)F SY192592 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.8 NCCCS(=O)(=O)O SY006704 [0,2,0,0,0,0|1,0,1]=4 371 B7R0.8 NCCCS(N)(=O)=O SY060437 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.1 C#CCCCCCCl SY220544 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.1 C#CCCCCCO SY021685 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.1 C=CCCCCNC SY047447 [0,2,0,0,0,0|1,0,1]=4 375 B7R0.1 C=CCCCCON SY281584 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.1 C=CCCCCON SY281585 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.1 CCCCCCON SY281668 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.1 CCCCCCON SY281669 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.1 CNCCNCCO SY300938 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.1 COCCOCCBr SY049757 [0,2,0,0,0,0|1,1,0]=4 381 B7R0.1 COCCOCCN SY042959 [0,2,0,0,0,0|0,1,0]=3 382 B7R0.1 COCOCCC#N SY028246 [0,2,0,0,0,0|0,1,1]=4 383 B7R0.1 COCOCCC=O SY027733 [0,2,0,0,0,0|1,1,0]=4 384 B7R0.1 ClCCCCCCBr SY049099 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.1 ClCCCCCCI SY049747 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.1 NCCCCCCO SY003099 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.1 NCCSSCCN SY012856 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.1 NCC[Se][Se]CCN SY120950 [0,2,0,0,0,0|1,1,0]=4 389 B7R0.1 OCCCCCCBr SY017128 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.1 OCCCCCCCl SY001629 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.1 OCCOCCCBr SY250091 [0,2,0,0,0,0|1,1,0]=4 392 B5R1.1 C1=CCNC1 SY012047 [1,0,0,1,0,0|0,0,2]=4 393 B5R1.2 BrC1CCC1 SY013810 [1,0,0,1,0,0|1,0,0]=3 394 B5R1.2 BrC1CNC1 SY097761 [1,0,0,1,0,0|2,0,0]=4 395 B5R1.2 CC1CCN1 SY099118 [1,0,0,1,0,0|0,0,0]=2 396 B5R1.2 CC1CNC1 SY056983 [1,0,0,1,0,0|1,0,0]=3 397 B5R1.2 C[C@@H]1CCN1 SY261901 [1,0,0,1,0,0|0,0,0]=2 398 B5R1.2 C[C@H]1CCN1 SY249704 [1,0,0,1,0,0|0,0,0]=2 399 B5R1.2 ClC1COC1 SY059296 [1,0,0,1,0,0|1,1,0]=4 400 B5R1.2 FC1CNC1 SY018074 [1,0,0,1,0,0|2,0,0]=4 401 B5R1.2 IC1CCC1 SY233989 [1,0,0,1,0,0|1,0,0]=3 402 B5R1.2 IC1COC1 SY009160 [1,0,0,1,0,0|1,1,0]=4 403 B5R1.2 NC1CCC1 SY013751 [1,0,0,1,0,0|0,0,0]=2 404 B5R1.2 NC1CNC1 SY033623 [1,0,0,1,0,0|1,0,0]=3 405 B5R1.2 NC1COC1 SY009105 [1,0,0,1,0,0|0,1,0]=3 406 B5R1.2 NC1CSC1 SY097616 [1,0,0,1,0,0|0,0,0]=2 407 B5R1.2 OC1CNC1 SY002482 [1,0,0,1,0,0|2,0,0]=4 408 B5R1.2 OC1COC1 SY002910 [1,0,0,1,0,0|1,1,0]=4 409 B5R1.2 OC1CSC1 SY099721 [1,0,0,1,0,0|1,0,0]=3 410 B5R1.3 ICC1CC1 SY266775 [1,0,0,1,0,0|1,0,0]=3 411 B5R1.3 NNC1CC1 SY024161 [1,0,0,1,0,0|1,0,0]=3 412 B5R1.3 OC[C@@H]1CO1 SY013955 [1,0,0,1,0,0|1,1,0]=4 413 B5R1.3 OC[C@H]1CO1 SY031944 [1,0,0,1,0,0|1,1,0]=4 414 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [1,0,0,1,0,0|2,0,0]=4 415 B5R1.4 NC1CC1F SY265040 [1,0,0,1,0,0|1,0,0]=3 416 B5R1.4 NC1CC1N SY249366 [1,0,0,1,0,0|1,0,0]=3 417 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [1,0,0,1,0,0|1,0,0]=3 418 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [1,0,0,1,0,0|1,0,0]=3 419 B5R1.4 N[C@H]1C[C@H]1F SY265042 [1,0,0,1,0,0|1,0,0]=3 420 B5R1.4 N[C@H]1C[C@H]1N SY249367 [1,0,0,1,0,0|1,0,0]=3 421 B7R1.1 BrCC1CCOC1 SY042030 [0,1,0,1,0,0|1,1,0]=4 422 B7R1.1 C#CC1CCCC1 SY047862 [0,1,0,1,0,0|2,0,0]=4 423 B7R1.1 C#CC1CCNC1 SY284818 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.1 CNC1CCOC1 SY048009 [0,1,0,1,0,0|0,1,0]=3 426 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,1,0,1,0,0|0,1,0]=3 427 B7R1.1 COC1CCNC1 SY043121 [0,1,0,1,0,0|0,1,0]=3 428 B7R1.1 COC1CCNC1 SY097408 [0,1,0,1,0,0|0,1,0]=3 429 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,1,0,1,0,0|0,1,0]=3 430 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,1,0,1,0,0|0,1,0]=3 431 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,1,0,1,0,0|0,1,0]=3 432 B7R1.1 CSC1=NCCN1 SY063540 [0,1,0,1,0,0|0,0,1]=3 433 B7R1.1 CSC1=NCCS1 SY053147 [0,1,0,1,0,0|0,0,2]=4 434 B7R1.1 ClCC1=NCCN1 SY046532 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.1 ClCC1CCCO1 SY049357 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.1 FCC1CCNC1 SY265543 [0,1,0,1,0,0|2,0,0]=4 437 B7R1.1 FC[C@H]1CCCN1 SY098832 [0,1,0,1,0,0|1,0,0]=3 438 B7R1.1 N#CC1CCCN1 SY026581 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.1 N#CC1CCNC1 SY021188 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.1 N#CC1CCOC1 SY042080 [0,1,0,1,0,0|0,1,1]=4 441 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.1 N#C[C@@H]1CCNC1 SY096996 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.1 N#C[C@H]1CCCN1 SY007468 [0,1,0,1,0,0|1,0,1]=4 444 B7R1.1 NCC1CCCC1 SY013219 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.1 NCC1CCCC1 SY025882 [0,1,0,1,0,0|1,0,0]=3 446 B7R1.1 NCC1CCOC1 SY042027 [0,1,0,1,0,0|0,1,0]=3 447 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.1 NN[C@@H]1CCOC1 SY295255 [0,1,0,1,0,0|0,1,0]=3 449 B7R1.1 O=CC1CCCC1 SY004589 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.1 O=CC1CCOC1 SY046752 [0,1,0,1,0,0|1,1,0]=4 451 B7R1.1 OCC1CC=CC1 SY019811 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.1 OCC1CCCC1 SY006011 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.1 OCC1CCCN1 SY013851 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.1 OCC1CCNC1 SY018506 [0,1,0,1,0,0|2,0,0]=4 455 B7R1.1 OCC1CCNC1 SY021497 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.1 OCC1CCOC1 SY030918 [0,1,0,1,0,0|1,1,0]=4 457 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,1,0,1,0,0|2,0,0]=4 461 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.2 CC1CCC(=O)C1 SY003033 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.2 CC1CCC(C)N1 SY140252 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.2 CC1CCC(N)C1 SY156765 [0,1,0,1,0,0|1,0,0]=3 465 B7R1.2 CC1CNC(=O)C1 SY065050 [0,1,0,1,0,0|2,0,0]=4 466 B7R1.2 CN1CCC(O)C1 SY005849 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.2 CN1CC[C@@H](N)C1 SY096941 [0,1,0,1,0,0|1,0,0]=3 468 B7R1.2 CN1CC[C@@H](O)C1 SY031540 [0,1,0,1,0,0|2,0,0]=4 469 B7R1.2 CN1CC[C@H](N)C1 SY096895 [0,1,0,1,0,0|1,0,0]=3 470 B7R1.2 CN1CC[C@H](O)C1 SY003953 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [0,1,0,1,0,0|1,0,0]=3 473 B7R1.2 NC1CCC(O)C1 SY097023 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.2 NN1CCC(F)C1 SY308388 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SY021340 [0,1,0,1,0,0|1,0,0]=3 476 B7R1.2 N[C@@H]1CC[C@H](O)C1 SY045306 [0,1,0,1,0,0|1,0,0]=3 477 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,1,0,0|0,1,1]=4 478 B7R1.2 N[C@H]1CC[C@@H](O)C1 SY198445 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.2 N[C@H]1CC[C@H](O)C1 SY021301 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.2 N[C@H]1CC[C@H](O)C1 SY259001 [0,1,0,1,0,0|1,0,0]=3 481 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,1,0,0|0,1,1]=4 482 B7R1.2 O=C1CC(O)CN1 SY031844 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.2 O=C1CCC(O)C1 SY040217 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.3 BrC1CCCOC1 SY005937 [0,1,0,1,0,0|1,1,0]=4 487 B7R1.3 BrC1CCNCC1 SY013399 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 BrC1CCOCC1 SY002700 [0,1,0,1,0,0|1,1,0]=4 489 B7R1.3 C=C1CCNCC1 SY022740 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.3 CC1CNCCO1 SY008226 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.3 CC1COCCN1 SY028991 [0,1,0,1,0,0|1,0,0]=3 492 B7R1.3 CN1CCNCC1 SY102030 [0,1,0,1,0,0|2,0,0]=4 493 B7R1.3 CN1CCOCC1 SY262844 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,1,0,1,0,0|1,0,0]=3 496 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,1,0,1,0,0|2,0,0]=4 497 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,1,0,1,0,0|1,0,0]=3 500 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,1,0,1,0,0|1,0,0]=3 502 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.3 C[C@H]1COCCN1 SY002673 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.3 C[C@H]1COCCN1 SY023874 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.3 ClC1CCNCC1 SY046580 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.3 ClC1CCOCC1 SY051140 [0,1,0,1,0,0|1,1,0]=4 508 B7R1.3 FC1CCCNC1 SY010384 [0,1,0,1,0,0|1,0,0]=3 509 B7R1.3 FC1CCNCC1 SY010389 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.3 FC1CCNCC1 SY020129 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.3 IC1CCOCC1 SY004489 [0,1,0,1,0,0|1,1,0]=4 512 B7R1.3 NC1=NCCCN1 SY042627 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.3 NC1=NCCCN1 SY270826 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.3 NC1CCCNC1 SY020460 [0,1,0,1,0,0|1,0,0]=3 515 B7R1.3 NC1CCOCC1 SY013112 [0,1,0,1,0,0|0,1,0]=3 516 B7R1.3 NC1CCSCC1 SY042938 [0,1,0,1,0,0|0,0,0]=2 517 B7R1.3 N[C@@H]1CCCNC1 SY008763 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.3 N[C@@H]1CCCOC1 SY023981 [0,1,0,1,0,0|0,1,0]=3 519 B7R1.3 N[C@H]1CCCNC1 SY009305 [0,1,0,1,0,0|1,0,0]=3 520 B7R1.3 N[C@H]1CCCOC1 SY023980 [0,1,0,1,0,0|0,1,0]=3 521 B7R1.3 O=C1CCCCN1 SY011119 [0,1,0,1,0,0|1,0,1]=4 522 B7R1.3 O=C1CCCCS1 SY222230 [0,1,0,1,0,0|1,0,1]=4 523 B7R1.3 O=C1CCCNC1 SY025656 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.3 O=C1CCCOC1 SY003102 [0,1,0,1,0,0|1,1,0]=4 525 B7R1.3 O=C1CCNCC1 SY002027 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.3 O=C1CCNCC1 SY107185 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.3 O=C1CCSCC1 SY007101 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.3 O=C1CNCCN1 SY002559 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.3 O=C1CNCCO1 SY047308 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.3 O=C1COCCN1 SY003974 [0,1,0,1,0,0|2,0,0]=4 531 B7R1.3 O=C1CSCCN1 SY082963 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.3 O=C1NCCCO1 SY005699 [0,1,0,1,0,0|0,1,1]=4 533 B7R1.3 OC1CC=CCC1 SY264800 [0,1,0,1,0,0|2,0,0]=4 534 B7R1.3 OC1CCCCO1 SY009592 [0,1,0,1,0,0|1,1,0]=4 535 B7R1.3 OC1CCCNC1 SY002024 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.3 OC1CCCOC1 SY021770 [0,1,0,1,0,0|1,1,0]=4 537 B7R1.3 OC1CCNCC1 SY025543 [0,1,0,1,0,0|1,0,0]=3 538 B7R1.3 OC1CCOCC1 SY002687 [0,1,0,1,0,0|1,1,0]=4 539 B7R1.3 OC1CCSCC1 SY019603 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.3 OC1COCOC1 SY039164 [0,1,0,1,0,0|1,1,0]=4 541 B7R1.3 ON1CCNCC1 SY248545 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.3 O[C@@H]1CCCNC1 SY017793 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.3 O[C@H]1CCCNC1 SY020871 [0,1,0,1,0,0|1,0,0]=3 544 B7R1.4 CC1CCCC1=O SY045483 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.4 CC1SCCC1=O SY003998 [0,1,0,1,0,0|1,0,1]=4 546 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,1,0,1,0,0|2,0,0]=4 547 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.4 F[C@@H]1CNC[C@H]1F SY270347 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.4 F[C@H]1CNC[C@@H]1F SY301499 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.4 F[C@H]1CNC[C@H]1F SY302340 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.4 NC1CCCC1O SY004734 [0,1,0,1,0,0|1,0,0]=3 552 B7R1.4 NC1CCOC1=O SY111957 [0,1,0,1,0,0|0,1,1]=4 553 B7R1.4 NC1CCSC1=O SY038927 [0,1,0,1,0,0|0,0,1]=3 554 B7R1.4 NN1CCCC1=O SY105332 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.4 N[C@@H]1CCC[C@@H]1O SY002754 [0,1,0,1,0,0|1,0,0]=3 556 B7R1.4 N[C@@H]1CCC[C@H]1O SY002755 [0,1,0,1,0,0|1,0,0]=3 557 B7R1.4 N[C@@H]1CCC[C@H]1O SY004738 [0,1,0,1,0,0|1,0,0]=3 558 B7R1.4 N[C@@H]1CCC[C@H]1O SY029613 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.4 N[C@@H]1CCNC1=O SY034730 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,1,0,1,0,0|0,1,1]=4 561 B7R1.4 N[C@@H]1COC[C@@H]1N SY097056 [0,1,0,1,0,0|0,1,0]=3 562 B7R1.4 N[C@H]1CCC[C@@H]1O SY003862 [0,1,0,1,0,0|1,0,0]=3 563 B7R1.4 N[C@H]1CCC[C@H]1O SY003863 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.4 N[C@H]1CCNC1=O SY022467 [0,1,0,1,0,0|1,0,1]=4 565 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,1,0,1,0,0|0,1,1]=4 566 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,1,0,1,0,0|0,1,1]=4 567 B7R1.4 N[C@H]1COC[C@H]1O SY233968 [0,1,0,1,0,0|0,1,0]=3 568 B7R1.4 O=C1NCCC1Br SY067750 [0,1,0,1,0,0|2,0,0]=4 569 B7R1.4 O=C1NCCC1O SY017439 [0,1,0,1,0,0|2,0,0]=4 570 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,1,0,1,0,0|2,0,0]=4 571 B7R1.4 OC1CCCC1F SY273252 [0,1,0,1,0,0|2,0,0]=4 572 B7R1.4 OC1CCCC1O SY007557 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.4 OC1COCC1Br SY262931 [0,1,0,1,0,0|1,1,0]=4 574 B7R1.4 O[C@@H]1CCC[C@H]1Cl SY058932 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.4 O[C@@H]1CCC[C@H]1F SY273251 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.4 O[C@@H]1CCC[C@H]1O SY028304 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.4 O[C@@H]1CNC[C@H]1O SY038177 [0,1,0,1,0,0|2,0,0]=4 578 B7R1.4 O[C@H]1CNC[C@@H]1O SY031965 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.4 O[C@H]1CNC[C@H]1O SY097115 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.6 CCOC1CNC1 SY198400 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.6 CNCC1COC1 SY113244 [0,1,0,1,0,0|0,1,0]=3 582 B7R1.6 COCC1CCN1 SY122024 [0,1,0,1,0,0|0,1,0]=3 583 B7R1.6 COCC1CNC1 SY060329 [0,1,0,1,0,0|0,1,0]=3 584 B7R1.6 ICCC1COC1 SY249454 [0,1,0,1,0,0|1,1,0]=4 585 B7R1.6 NCCC1CNC1 SY263737 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.6 NCCN1CCC1 SY099362 [0,1,0,1,0,0|1,0,0]=3 587 B7R1.6 NOCC1CCC1 SY216380 [0,1,0,1,0,0|1,0,0]=3 588 B7R1.6 NOCC1CCC1 SY281574 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.6 O=CCC1CCC1 SY025254 [0,1,0,1,0,0|2,0,0]=4 590 B7R1.6 OCCC1CCO1 SY099736 [0,1,0,1,0,0|1,1,0]=4 591 B7R1.6 OCCC1COC1 SY097532 [0,1,0,1,0,0|1,1,0]=4 592 B7R1.8 CN1CC[C@H]1CN SY284568 [0,1,0,1,0,0|1,0,0]=3 593 B7R1.9 COC1CC1C=O SY277013 [0,1,0,1,0,0|1,1,0]=4 594 B7R1.10 CC1CC(CO)C1 SY217481 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.10 CCC1CC(=O)C1 SY200344 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.10 CN1CC(CO)C1 SY233850 [0,1,0,1,0,0|2,0,0]=4 597 B7R1.10 CO[C@H]1C[C@H](N)C1 SY100296 [0,1,0,1,0,0|0,1,0]=3 598 B7R1.10 NC1CC(CO)C1 SY098739 [0,1,0,1,0,0|2,0,0]=4 599 B7R1.10 NCC1CC(O)C1 SY098741 [0,1,0,1,0,0|1,0,0]=3 600 B7R1.10 NC[C@H]1C[C@@H](O)C1 SY098823 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.10 N[C@H]1C[C@H](CO)C1 SY038401 [0,1,0,1,0,0|2,0,0]=4 602 B7R1.22 NC(CO)C1CC1 SY285678 [0,1,0,1,0,0|2,0,0]=4 603 B7R1.25 CC1(CBr)CCC1 SY265178 [0,1,0,1,0,0|2,0,0]=4 604 B7R1.25 CC1(CBr)COC1 SY008845 [0,1,0,1,0,0|1,1,0]=4 605 B7R1.25 CC1(CI)COC1 SY041717 [0,1,0,1,0,0|1,1,0]=4 606 B7R1.25 CC1(CN)CCC1 SY042130 [0,1,0,1,0,0|1,0,0]=3 607 B7R1.25 CC1(CN)COC1 SY008846 [0,1,0,1,0,0|0,1,0]=3 608 B7R1.25 CC1(CO)CNC1 SY037707 [0,1,0,1,0,0|2,0,0]=4 609 B7R1.25 CC1(CO)COC1 SY004123 [0,1,0,1,0,0|1,1,0]=4 610 B7R1.25 FC1(CBr)COC1 SY111193 [0,1,0,1,0,0|1,1,0]=4 611 B7R1.25 NC1(CO)CCC1 SY098454 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.25 NC1(CO)CCC1 SY140856 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.25 NC1(CO)COC1 SY047678 [0,1,0,1,0,0|1,1,0]=4 614 B7R1.25 NCC1(F)COC1 SY045010 [0,1,0,1,0,0|0,1,0]=3 615 B7R1.25 NCC1(O)CCC1 SY097074 [0,1,0,1,0,0|1,0,0]=3 616 B7R1.25 NCC1(O)COC1 SY097214 [0,1,0,1,0,0|0,1,0]=3 617 B7R1.25 OCC1(F)CNC1 SY198808 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.25 OCC1(F)COC1 SY098627 [0,1,0,1,0,0|1,1,0]=4 619 B7R1.7 CCCCC1CO1 SY049832 [0,1,0,1,0,0|1,1,0]=4 620 B7R1.14 CC1(C)CCCN1 SY018505 [0,1,0,1,0,0|1,0,0]=3 621 B7R1.14 CC1(C)CCCN1 SY081253 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.14 CC1(C)CCNC1 SY042120 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.14 CC1(O)CCNC1 SY036721 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.14 C[C@@]1(O)CCNC1 SY233757 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.14 C[C@@]1(O)CCNC1 SY310803 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.14 C[C@]1(O)CCNC1 SY233715 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.14 C[C@]1(O)CCNC1 SY233747 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.14 FC1(F)CCNC1 SY008515 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.14 O=S1(=O)CCCN1 SY022751 [0,1,0,1,0,0|1,0,1]=4 630 B7R1.18 CC(N)C1CCC1 SY144911 [0,1,0,1,0,0|1,0,0]=3 631 B7R1.18 FC(F)C1CCN1 SY277870 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.18 FC(F)C1CNC1 SY042143 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.18 N=C(N)C1CCC1 SY016171 [0,1,0,1,0,0|1,0,1]=4 634 B7R1.18 NC(=O)C1CCC1 SY026669 [0,1,0,1,0,0|1,0,1]=4 635 B7R1.18 NC(=S)C1CCC1 SY139742 [0,1,0,1,0,0|1,0,1]=4 636 B7R1.18 O=C(O)C1CCN1 SY013679 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.24 C1CNCCOC1 SY002594 [0,1,0,1,0,0|0,1,0]=3 640 B7R1.24 C1CNCCOC1 SY023485 [0,1,0,1,0,0|0,1,0]=3 641 B7R2.13 C1CC2CC2C1 SY274842 [0,0,0,2,0,0|2,0,0]=4 642 B7R2.13 C1NCC2CC12 SY029030 [0,0,0,2,0,0|1,0,0]=3 643 B7R2.13 C1OCC2OC12 SY018458 [0,0,0,2,0,0|1,1,0]=4 644 B7R2.11 C1NC2CC1C2 SY098317 [0,0,0,2,0,0|1,0,0]=3 645 B7R2.1 C1CC1C2CO2 SY143495 [0,0,0,2,0,0|1,1,0]=4 646 B7R2.16 C1CC12CNC2 SY269596 [0,0,0,2,0,0|2,0,0]=4 647 B7R2.16 C1CC2(C1)CO2 SY253039 [0,0,0,2,0,0|1,1,0]=4 648 B7R2.8 OC1C2CC1C2 SY294157 [0,0,0,2,0,0|2,0,0]=4