0 B5R0.3 C#C[C@H](C)OC SY282343 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.3 C=CC(=O)NC SY057550 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=CC(C)ON SY039116 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 C=CC(O)CO SY275096 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.3 C=C[C@@H](N)CO SY211186 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 C=C[C@H](N)CO SY101322 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.3 CC(=CI)CI SY271392 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 CC(CBr)CBr SY038831 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.3 CC(CI)CI SY248411 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CCC(Br)CC SY050135 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CC[C@@H](N)CO SY049464 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 CC[C@H](N)CF SY045883 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.3 CNC(C)C#N SY019549 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CNC(C)CO SY082195 [0,0,0,0,0,0|1,0,2]=3 14 B5R0.3 COC(C)CBr SY298794 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CO[C@@H](C)CN SY114788 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 C\C(=C/I)CO SY270524 [0,0,0,0,0,0|2,0,1]=3 17 B5R0.3 C\C(=C\I)CI SY248780 [0,0,0,0,0,0|2,0,1]=3 18 B5R0.3 FCC(I)CF SY249443 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 NCC(Br)CBr SY006726 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 NCC(F)CO SY260924 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.3 NCC(O)CN SY013661 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 NC[C@@H](O)CO SY008127 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.3 NC[C@H](O)CBr SY294054 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 NC[C@H](O)CCl SY060396 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.3 O=CC(Br)C=O SY002049 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.3 OC(CBr)CBr SY012889 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 C#CC(C)N SY022798 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.1 C=C(Br)CN SY122662 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C=C(Br)CN SY264242 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 C=C(Br)CO SY043202 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 C=C(C)CN SY018445 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 C=C[C@H](C)N SY245785 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(=O)CN SY018511 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(C)NN SY008422 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(C)NO SY059927 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 CC(C)ON SY019006 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.1 CC(N)CBr SY268996 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(N)CF SY045872 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CC(S)CO SY195125 [1,0,0,0,0,0|1,1,0]=3 40 B4R0.1 CCB(O)O SY004385 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CCC(=N)N SY018521 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 CCC(N)=O SY048276 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CCS(=O)[O-] SY005659 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC[C@H](C)N SY059203 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CNC(N)=O SY018863 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 C[C@@H](Cl)CO SY240135 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 C[C@@H](N)CF SY044783 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C[C@@H](O)CN SY002691 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 C[C@@H](O)CO SY003769 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C[C@H](N)CF SY044781 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 C[C@H](O)CO SY003770 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 FC(F)CI SY027169 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 NCC(F)F SY013766 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 NCC(N)=O SY003860 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 NCC(N)=O SY104505 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 O=C([O-])CI SY066613 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.2 BrCCCI SY288042 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.2 C#CCCI SY026540 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 C#CCCN SY007229 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 C=CCCN SY036713 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.2 C=CCNN SY076022 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.2 C=CCON SY029026 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.2 CC=CC[Pd+2] SY070788 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 CCCNN SY048075 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.2 CCCON SY096737 [1,0,0,0,0,0|2,0,0]=3 66 B4R0.2 CCOC=N SY041120 [1,0,0,0,0,0|2,0,0]=3 67 B4R0.2 CNCC#N SY003939 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 CNCCBr SY044997 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 CNCCF SY122542 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 CNCCN SY023647 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 COCC#N SY003878 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 COCCI SY248715 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 ClCCCI SY031611 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 FCCCI SY025148 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 ICCCI SY045006 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 N#CCCO SY005485 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 NCCCBr SY008325 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 NCCCCl SY001694 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 NCCCI SY154270 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 NOCCO SY007135 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.2 OCCCBr SY001898 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.2 OCCCF SY033053 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.2 OCCCI SY016401 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.1 C=CC(O)CCC SY048915 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 C=CC[C@H](C)C=O SY018347 [0,1,0,0,0,0|0,0,1]=2 86 B6R0.1 CC(=CCBr)CBr SY285202 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.1 CCCC(C)CN SY271841 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.1 CCCC(O)CO SY032914 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.1 CCC[C@@H](N)CF SY045881 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.1 CCC[C@@H](N)CO SY038521 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.1 CCC[C@H](N)CF SY045882 [0,1,0,0,0,0|2,0,1]=4 92 B6R0.1 CCC[C@H](N)CO SY017944 [0,1,0,0,0,0|1,0,2]=4 93 B6R0.1 CN(C=O)CCO SY038247 [0,1,0,0,0,0|1,0,0]=2 94 B6R0.1 CNC[C@@H](O)CO SY294795 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.1 COC[C@@H](O)CN SY236677 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 COC[C@H](O)CN SY199877 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.1 NCCC(O)CO SY260308 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.1 O=CC[C@H](O)CCl SY285776 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.1 OCCC(O)CO SY003295 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.1 OCC[C@H](O)CO SY274042 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.1 O[C@@H](CBr)CCBr SY301486 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 C=C[C@H](C)[C@H](C)O SY267898 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.3 CC(C)C(N)CF SY045876 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.3 CC(C)C(N)CO SY006455 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 CC(C)N(C)N=O SY264258 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.3 CC(C)[C@@H](N)CF SY045875 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.3 CC(C)[C@@H](N)CO SY006320 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.3 CC(C)[C@H](N)CF SY045871 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 CC(C)[C@H](N)CO SY003828 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.3 CCC(=O)C(=O)O SY011034 [0,1,0,0,0,0|1,0,1]=3 111 B6R0.3 CCC(Br)C(N)=O SY031102 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.3 CCC(C)B(O)O SY030879 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.3 CCC(N)C(=O)O SY005223 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 CC[C@@H](Br)C(=O)O SY233332 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 CC[C@@H](C)C(=O)O SY115833 [0,1,0,0,0,0|0,0,0]=1 116 B6R0.3 CC[C@@H](N)C(=O)O SY001956 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 CC[C@@H](N)C(N)=O SY108293 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 CC[C@H](Br)C(=O)O SY233336 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 CC[C@H](N)C(=O)O SY002291 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.3 CC[C@H](N)C(N)=O SY020529 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 CC[C@H](O)C(=O)O SY066872 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 CNC(C)C(=O)O SY006014 [0,1,0,0,0,0|1,0,0]=2 123 B6R0.3 CN[C@@H](C)C(=O)O SY024215 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 CN[C@H](C)C(=O)O SY024216 [0,1,0,0,0,0|1,0,0]=2 125 B6R0.3 COC(C)C(=O)O SY034306 [0,1,0,0,0,0|1,0,0]=2 126 B6R0.3 CON(C)C(C)=O SY004033 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.3 CO[C@@H](C)C(=O)O SY028415 [0,1,0,0,0,0|1,0,0]=2 128 B6R0.3 C[C@@H](CN)C(=O)O SY127503 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.3 C[C@@H](CN)C(=O)O SY245999 [0,1,0,0,0,0|1,0,0]=2 130 B6R0.3 C[C@@H](O)[C@H](N)CO SY009561 [0,1,0,0,0,0|1,0,2]=4 131 B6R0.3 C[C@@H](ON)C(=O)O SY286465 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.3 C[C@H](CN)C(=O)O SY020274 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.3 C[C@H](CN)C(=O)O SY105716 [0,1,0,0,0,0|1,0,0]=2 134 B6R0.3 C[C@H](O)[C@@H](N)CO SY034144 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.3 C[C@H](ON)C(=O)O SY286489 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.3 C\C=C(\C)C(=O)O SY053021 [0,1,0,0,0,0|0,0,2]=3 137 B6R0.3 NC(=O)[C@@H](N)CO SY034139 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.3 NC(CO)C(=O)O SY003812 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.3 NC(CS)C(=O)O SY009625 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.3 NCC(Br)C(=O)O SY297906 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.3 NCC(N)C(=O)O SY017516 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.3 NCC(O)C(=O)O SY007745 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.3 NC[C@@H](N)C(=O)O SY017514 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.3 NC[C@H](N)C(=O)O SY017515 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 NC[C@H](O)C(=O)O SY013665 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.3 N[C@@H](CCl)C(=O)O SY034145 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.3 N[C@@H](CO)C(=O)O SY002847 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.3 N[C@@H](CS)C(=O)O SY061564 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.3 N[C@H](CCl)C(=O)O SY034148 [0,1,0,0,0,0|2,0,0]=3 150 B6R0.3 N[C@H](CO)C(=O)O SY005114 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.3 N[C@H](CS)C(=O)O SY033289 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.3 N[C@H](CS)C(=O)O SY033653 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.3 O=C(O)C(Br)CO SY261671 [0,1,0,0,0,0|2,0,0]=3 154 B6R0.3 O=C(O)[C@@H](Br)CO SY261670 [0,1,0,0,0,0|2,0,0]=3 155 B6R0.8 C#CC(C)(N)CC SY027300 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.8 C=CC(C)(O)CBr SY266264 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.8 CC(C)(C#N)CBr SY250128 [0,1,0,0,0,0|2,0,1]=4 158 B6R0.8 CC(C)(C#N)CO SY045527 [0,1,0,0,0,0|2,0,1]=4 159 B6R0.8 CC(C)(C=O)CO SY107563 [0,1,0,0,0,0|1,0,0]=2 160 B6R0.8 CC(C)(CBr)CBr SY038454 [0,1,0,0,0,0|2,0,1]=4 161 B6R0.8 CC(C)(CN)CF SY276712 [0,1,0,0,0,0|2,0,1]=4 162 B6R0.8 CC(C)(CO)CBr SY039504 [0,1,0,0,0,0|1,0,2]=4 163 B6R0.8 CC(O)(CO)CO SY224166 [0,1,0,0,0,0|1,0,2]=4 164 B6R0.8 CCC(C)(N)C#N SY026944 [0,1,0,0,0,0|1,0,1]=3 165 B6R0.8 CNC(C)(C)CBr SY283913 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.8 CNC(C)(C)CO SY033902 [0,1,0,0,0,0|1,0,2]=4 167 B6R0.8 COC(C)(C)CBr SY007681 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.8 COC(C)(C)CN SY195711 [0,1,0,0,0,0|2,0,1]=4 169 B6R0.8 COC(C)(C)CO SY162215 [0,1,0,0,0,0|1,0,2]=4 170 B6R0.9 CCC(C#N)CC SY059782 [0,1,0,0,0,0|1,0,1]=3 171 B6R0.9 CCC(CC)NC SY023477 [0,1,0,0,0,0|1,0,1]=3 172 B6R0.9 CCN(CC)N=O SY053647 [0,1,0,0,0,0|2,0,0]=3 173 B6R0.9 COC(CO)OC SY122147 [0,1,0,0,0,0|1,0,2]=4 174 B6R0.9 C\C=C(\C=O)CC SY265075 [0,1,0,0,0,0|0,0,1]=2 175 B6R0.9 O=CC(C=O)C=O SY027274 [0,1,0,0,0,0|1,0,2]=4 176 B6R0.9 OCC(CO)CO SY026482 [0,1,0,0,0,0|1,0,2]=4 177 B6R1.2 CC1=NCCC1 SY015490 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 CC1CCCN1 SY042657 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 CN1CCNC1 SY251230 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.2 C[C@@H]1CCCN1 SY019809 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.2 C[C@@H]1CCNC1 SY097390 [0,0,0,1,0,0|1,0,1]=3 182 B6R1.2 C[C@H]1CCCN1 SY019821 [0,0,0,1,0,0|2,0,0]=3 183 B6R1.2 C[C@H]1CCNC1 SY097402 [0,0,0,1,0,0|1,0,1]=3 184 B6R1.2 C[S+]1CCCC1 SY251130 [0,0,0,1,0,0|2,0,1]=4 185 B6R1.2 ClC1CCOC1 SY185690 [0,0,0,1,0,0|1,0,2]=4 186 B6R1.2 Cl[C@@H]1CCNC1 SY281534 [0,0,0,1,0,0|2,0,1]=4 187 B6R1.2 FC1CCNC1 SY032538 [0,0,0,1,0,0|2,0,1]=4 188 B6R1.2 F[C@@H]1CCNC1 SY008511 [0,0,0,1,0,0|2,0,1]=4 189 B6R1.2 F[C@H]1CCNC1 SY008512 [0,0,0,1,0,0|2,0,1]=4 190 B6R1.2 IC1CCCC1 SY019127 [0,0,0,1,0,0|2,0,1]=4 191 B6R1.2 IC1CCOC1 SY042009 [0,0,0,1,0,0|1,0,2]=4 192 B6R1.2 NC1CCNC1 SY005919 [0,0,0,1,0,0|2,0,1]=4 193 B6R1.2 NC1CCOC1 SY003277 [0,0,0,1,0,0|1,0,2]=4 194 B6R1.2 NC1CCOC1 SY042059 [0,0,0,1,0,0|1,0,2]=4 195 B6R1.2 N[C@@H]1CCOC1 SY020665 [0,0,0,1,0,0|1,0,2]=4 196 B6R1.2 N[C@@H]1CCOC1 SY024464 [0,0,0,1,0,0|1,0,2]=4 197 B6R1.2 N[C@H]1CCNC1 SY057131 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.2 N[C@H]1CCOC1 SY020664 [0,0,0,1,0,0|1,0,2]=4 199 B6R1.2 N[C@H]1CCOC1 SY024406 [0,0,0,1,0,0|1,0,2]=4 200 B6R1.2 OC1CCCO1 SY016132 [0,0,0,1,0,0|3,0,0]=4 201 B6R1.2 OC1CCNC1 SY001203 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.2 OC1CCNC1 SY003143 [0,0,0,1,0,0|2,0,1]=4 203 B6R1.2 OC1CCOC1 SY003288 [0,0,0,1,0,0|1,0,2]=4 204 B6R1.2 OC1CCSC1 SY185762 [0,0,0,1,0,0|1,1,1]=4 205 B6R1.2 O[C@@H]1CCNC1 SY003191 [0,0,0,1,0,0|2,0,1]=4 206 B6R1.2 O[C@@H]1CCNC1 SY018523 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.2 O[C@@H]1CCOC1 SY016904 [0,0,0,1,0,0|1,0,2]=4 208 B6R1.2 O[C@H]1CCNC1 SY003190 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.2 O[C@H]1CCNC1 SY007382 [0,0,0,1,0,0|2,0,1]=4 210 B6R1.2 O[C@H]1CCOC1 SY003096 [0,0,0,1,0,0|1,0,2]=4 211 B6R1.4 CC1CCC1O SY161762 [0,0,0,1,0,0|0,0,2]=3 212 B6R1.4 C[C@@H]1NC[C@@H]1F SY310794 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.4 C[C@@H]1NC[C@H]1F SY310804 [0,0,0,1,0,0|2,0,1]=4 214 B6R1.4 C[C@@H]1NC[C@H]1O SY310807 [0,0,0,1,0,0|1,0,2]=4 215 B6R1.4 O=C1CCC1Br SY234041 [0,0,0,1,0,0|1,0,0]=2 216 B6R1.4 OC1CCC1O SY301012 [0,0,0,1,0,0|1,0,2]=4 217 B6R1.6 BrCC1CNC1 SY267476 [0,0,0,1,0,0|2,0,1]=4 218 B6R1.6 BrCC1COC1 SY059797 [0,0,0,1,0,0|1,0,2]=4 219 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|2,0,1]=4 223 B6R1.6 CNC1COC1 SY047195 [0,0,0,1,0,0|1,0,2]=4 224 B6R1.6 COC1CNC1 SY021482 [0,0,0,1,0,0|2,0,1]=4 225 B6R1.6 FCC1CNC1 SY127600 [0,0,0,1,0,0|2,0,1]=4 226 B6R1.6 ICC1CCC1 SY073415 [0,0,0,1,0,0|1,0,1]=3 227 B6R1.6 N#CC1CNC1 SY032760 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.6 N#CC1COC1 SY226783 [0,0,0,1,0,0|2,0,1]=4 229 B6R1.6 NCC1CCC1 SY035875 [0,0,0,1,0,0|1,0,1]=3 230 B6R1.6 NCC1CCO1 SY035857 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.6 NCC1COC1 SY025447 [0,0,0,1,0,0|1,0,2]=4 232 B6R1.6 NCC1COC1 SY098725 [0,0,0,1,0,0|1,0,2]=4 233 B6R1.6 NC[C@@H]1CCO1 SY250609 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.6 NC[C@H]1CCO1 SY262606 [0,0,0,1,0,0|2,0,1]=4 235 B6R1.6 O=CC1CCC1 SY019700 [0,0,0,1,0,0|0,0,0]=1 236 B6R1.6 O=CC1COC1 SY097875 [0,0,0,1,0,0|1,0,0]=2 237 B6R1.6 OCC1CCO1 SY042053 [0,0,0,1,0,0|1,0,2]=4 238 B6R1.6 OCC1CNC1 SY024106 [0,0,0,1,0,0|1,0,2]=4 239 B6R1.6 OCC1COC1 SY009472 [0,0,0,1,0,0|1,0,2]=4 240 B6R1.6 OC[C@@H]1CCO1 SY270417 [0,0,0,1,0,0|1,0,2]=4 241 B6R1.6 ON=C1CCC1 SY185260 [0,0,0,1,0,0|1,0,2]=4 242 B6R1.7 C#CC1(C)CC1 SY058218 [0,0,0,1,0,0|1,0,1]=3 243 B6R1.7 C#CC1(N)CC1 SY099197 [0,0,0,1,0,0|2,0,1]=4 244 B6R1.7 CC1(C=O)CC1 SY310800 [0,0,0,1,0,0|0,0,0]=1 245 B6R1.7 CC1(CBr)CO1 SY247742 [0,0,0,1,0,0|1,0,2]=4 246 B6R1.7 CC1(CN)CC1 SY029652 [0,0,0,1,0,0|1,0,1]=3 247 B6R1.7 CC1(CO)CC1 SY029659 [0,0,0,1,0,0|0,0,2]=3 248 B6R1.7 CC1(CO)CO1 SY028746 [0,0,0,1,0,0|1,0,2]=4 249 B6R1.7 C[C@]1(CO)CO1 SY028745 [0,0,0,1,0,0|1,0,2]=4 250 B6R1.7 N#CC1(N)CC1 SY015717 [0,0,0,1,0,0|2,0,1]=4 251 B6R1.7 NC1(CF)CC1 SY040347 [0,0,0,1,0,0|2,0,1]=4 252 B6R1.7 NC1(CO)CC1 SY017513 [0,0,0,1,0,0|1,0,2]=4 253 B6R1.7 NC1(CO)CC1 SY047102 [0,0,0,1,0,0|1,0,2]=4 254 B6R1.7 NCC1(O)CC1 SY040047 [0,0,0,1,0,0|2,0,1]=4 255 B6R1.7 NCC1(O)CC1 SY102292 [0,0,0,1,0,0|2,0,1]=4 256 B6R1.7 OCC1(F)CC1 SY123971 [0,0,0,1,0,0|1,0,2]=4 257 B6R1.7 OCC1(O)CC1 SY123956 [0,0,0,1,0,0|1,0,2]=4 258 B3R0.1 CCON SY009566 [2,0,0,0,0,0|2,0,0]=4 259 B3R0.1 CNOC SY001763 [2,0,0,0,0,0|2,0,0]=4 260 B3R0.1 COCBr SY029084 [2,0,0,0,0,0|2,0,0]=4 261 B3R0.1 C[Se][Se]C SY048201 [2,0,0,0,0,0|2,0,0]=4 262 B3R0.1 FCCI SY024380 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.1 ICCI SY045649 [2,0,0,0,0,0|2,0,0]=4 264 B3R0.1 NCCF SY009337 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.1 NCCI SY155633 [2,0,0,0,0,0|2,0,0]=4 266 B3R0.2 CC(=O)O SY001386 [2,0,0,0,0,0|1,0,1]=4 267 B3R0.2 CC(=O)O SY004125 [2,0,0,0,0,0|1,0,1]=4 268 B3R0.2 CC(=O)[O-] SY001322 [2,0,0,0,0,0|1,0,1]=4 269 B3R0.2 CC(=O)[O-] SY010327 [2,0,0,0,0,0|1,0,1]=4 270 B3R0.2 CC(=O)[O-] SY011498 [2,0,0,0,0,0|1,0,1]=4 271 B3R0.2 CC(=O)[O-] SY011745 [2,0,0,0,0,0|1,0,1]=4 272 B3R0.2 CC(=O)[O-] SY011809 [2,0,0,0,0,0|1,0,1]=4 273 B3R0.2 CC(=O)[O-] SY011846 [2,0,0,0,0,0|1,0,1]=4 274 B3R0.2 CC(=O)[O-] SY013501 [2,0,0,0,0,0|1,0,1]=4 275 B3R0.2 CC(=O)[O-] SY027391 [2,0,0,0,0,0|1,0,1]=4 276 B3R0.2 CC(=O)[O-] SY045651 [2,0,0,0,0,0|1,0,1]=4 277 B3R0.2 CC(=O)[O-] SY067119 [2,0,0,0,0,0|1,0,1]=4 278 B3R0.2 CC(=O)[O-] SY256925 [2,0,0,0,0,0|1,0,1]=4 279 B3R0.2 CC(=O)[O-] SY257453 [2,0,0,0,0,0|1,0,1]=4 280 B3R0.2 CC(C)N SY107348 [2,0,0,0,0,0|1,0,0]=3 281 B3R0.2 CN(C)C SY010907 [2,0,0,0,0,0|1,0,1]=4 282 B3R0.2 CS(=O)[O-] SY002584 [2,0,0,0,0,0|2,0,0]=4 283 B3R0.2 C[S+](C)C SY011509 [2,0,0,0,0,0|1,0,1]=4 284 B3R0.2 C[S+](C)C SY019516 [2,0,0,0,0,0|1,0,1]=4 285 B3R0.2 P(C)(C)=O SY009874 [2,0,0,0,0,0|1,0,0]=3 286 B3R0.2 P(C)(C)=O SY237149 [2,0,0,0,0,0|1,0,0]=3 287 B5R0.1 CC#CC(C)=O SY262884 [1,1,0,0,0,0|0,0,2]=4 288 B5R0.1 CC(=O)CCN SY263173 [1,1,0,0,0,0|0,0,1]=3 289 B5R0.1 CC(=O)CCO SY002849 [1,1,0,0,0,0|0,0,1]=3 290 B5R0.1 CC(=O)NCO SY047960 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.1 CC(=O)OCBr SY051438 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.1 CC(C)CON SY013358 [1,1,0,0,0,0|0,0,2]=4 293 B5R0.1 CC(C)N=[N+]=[N-] SY197245 [1,1,0,0,0,0|2,0,0]=4 294 B5R0.1 CC(N)CCF SY299085 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.1 CC(N)CCO SY030187 [1,1,0,0,0,0|1,0,0]=3 296 B5R0.1 CC(O)CCBr SY216789 [1,1,0,0,0,0|0,0,1]=3 297 B5R0.1 CCC[C@@H](C)O SY045083 [1,1,0,0,0,0|0,0,1]=3 298 B5R0.1 CCNC(C)=O SY016499 [1,1,0,0,0,0|0,0,1]=3 299 B5R0.1 CN(C)CC=O SY114927 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.1 CN(C)CCBr SY004492 [1,1,0,0,0,0|1,0,1]=4 301 B5R0.1 CN(C)CCI SY219257 [1,1,0,0,0,0|1,0,1]=4 302 B5R0.1 CN(C)CCI SY247759 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.1 CN(C)CCI SY247769 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.1 CNCC(=O)O SY001630 [1,1,0,0,0,0|1,0,1]=4 305 B5R0.1 CNCC(C)O SY083968 [1,1,0,0,0,0|0,0,1]=3 306 B5R0.1 CNCC(F)F SY181997 [1,1,0,0,0,0|2,0,0]=4 307 B5R0.1 CNCC(N)=O SY059741 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.1 CNC[C@H](C)O SY131109 [1,1,0,0,0,0|0,0,1]=3 309 B5R0.1 COCC(C)Br SY074290 [1,1,0,0,0,0|1,0,0]=3 310 B5R0.1 COC[C@@H](C)N SY034826 [1,1,0,0,0,0|1,0,0]=3 311 B5R0.1 COC[C@@H](C)N SY056838 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.1 CSCC(N)=O SY040648 [1,1,0,0,0,0|1,0,1]=4 313 B5R0.1 CSCS(C)=O SY049552 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.1 C[C@@H](O)CCO SY049450 [1,1,0,0,0,0|0,0,1]=3 315 B5R0.1 C[C@H](N)CC#N SY121969 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.1 C[C@H](N)CC#N SY294704 [1,1,0,0,0,0|1,0,1]=4 317 B5R0.1 C[C@H](N)CCO SY022986 [1,1,0,0,0,0|1,0,0]=3 318 B5R0.1 NC(=O)CCBr SY014886 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.1 NCCC(N)=O SY024863 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.1 NCCC(N)=O SY101590 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.1 NCC[N+](=O)[O-] SY279282 [1,1,0,0,0,0|2,0,0]=4 322 B5R0.1 O=C(O)CCF SY008508 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.1 O=C(O)CCO SY003982 [1,1,0,0,0,0|1,0,1]=4 324 B5R0.1 O=[N+]([O-])CCO SY008757 [1,1,0,0,0,0|2,0,0]=4 325 B5R0.4 CC(C)(Br)C=O SY251082 [1,1,0,0,0,0|0,0,0]=2 326 B5R0.4 CC(C)(C)CCl SY048171 [1,1,0,0,0,0|1,0,1]=4 327 B5R0.4 CC(C)(C)NO SY036171 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.4 CC(C)(C)ON SY025901 [1,1,0,0,0,0|2,0,0]=4 329 B5R0.4 CC(C)(F)CBr SY027377 [1,1,0,0,0,0|1,0,1]=4 330 B5R0.4 CC(C)(F)CI SY028245 [1,1,0,0,0,0|1,0,1]=4 331 B5R0.4 CC(C)(F)CO SY029466 [1,1,0,0,0,0|0,0,2]=4 332 B5R0.4 CC(C)(N)C#N SY046540 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.4 CC(C)(O)CBr SY236333 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.4 CC(C)(O)CN SY022204 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.4 CC(C)(O)CO SY107922 [1,1,0,0,0,0|0,0,2]=4 336 B5R0.4 CC(F)(F)CN SY029653 [1,1,0,0,0,0|2,0,0]=4 337 B5R0.4 CC(F)(F)CO SY029658 [1,1,0,0,0,0|2,0,0]=4 338 B5R0.4 CCS(=O)(=O)O SY036762 [1,1,0,0,0,0|2,0,0]=4 339 B5R0.4 CCS(N)(=O)=O SY016774 [1,1,0,0,0,0|2,0,0]=4 340 B5R0.4 CNS(C)(=O)=O SY004768 [1,1,0,0,0,0|2,0,0]=4 341 B5R0.5 C=C(C)C(C)O SY145959 [1,1,0,0,0,0|0,0,1]=3 342 B5R0.5 C=C(C)C(N)=O SY010261 [1,1,0,0,0,0|0,0,2]=4 343 B5R0.5 CC(=O)C(F)F SY013768 [1,1,0,0,0,0|1,0,1]=4 344 B5R0.5 CC(Br)C(N)=O SY106825 [1,1,0,0,0,0|1,0,0]=3 345 B5R0.5 CC(C)B(O)O SY006229 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.5 CC(C)C(=N)N SY024838 [1,1,0,0,0,0|1,0,0]=3 347 B5R0.5 CC(C)C(I)I SY248412 [1,1,0,0,0,0|1,0,1]=4 348 B5R0.5 CC(C)C(N)=O SY015332 [1,1,0,0,0,0|0,0,0]=2 349 B5R0.5 CC(C)[C@H](C)N SY059202 [1,1,0,0,0,0|0,0,1]=3 350 B5R0.5 CC(N)C(=O)O SY005245 [1,1,0,0,0,0|1,0,0]=3 351 B5R0.5 CC(N)C(N)=O SY012823 [1,1,0,0,0,0|1,0,0]=3 352 B5R0.5 CC(N)C(N)=O SY027188 [1,1,0,0,0,0|1,0,0]=3 353 B5R0.5 C[C@@H](Br)C(=O)O SY102226 [1,1,0,0,0,0|1,0,0]=3 354 B5R0.5 C[C@@H](N)C(=O)O SY002277 [1,1,0,0,0,0|1,0,0]=3 355 B5R0.5 C[C@@H](N)C(N)=O SY030965 [1,1,0,0,0,0|1,0,0]=3 356 B5R0.5 C[C@@H](N)C(N)=O SY111070 [1,1,0,0,0,0|1,0,0]=3 357 B5R0.5 C[C@@H](O)C(N)=O SY022608 [1,1,0,0,0,0|1,0,0]=3 358 B5R0.5 C[C@@H](O)[C@@H](C)O SY047189 [1,1,0,0,0,0|0,0,1]=3 359 B5R0.5 C[C@H](Cl)C(=O)O SY018972 [1,1,0,0,0,0|1,0,0]=3 360 B5R0.5 C[C@H](N)C(N)=O SY031439 [1,1,0,0,0,0|1,0,0]=3 361 B5R0.5 C[C@H](O)[C@H](C)O SY057405 [1,1,0,0,0,0|0,0,1]=3 362 B5R0.5 O=C(O)C(F)Br SY040308 [1,1,0,0,0,0|2,0,0]=4 363 B5R0.5 O=C(O)C(F)Cl SY275169 [1,1,0,0,0,0|2,0,0]=4 364 B5R0.5 O=C(O)[C@@H](F)Cl SY276751 [1,1,0,0,0,0|2,0,0]=4 365 B5R0.5 O=C(O)[C@H](F)Cl SY276752 [1,1,0,0,0,0|2,0,0]=4 366 B5R0.2 C#CCCCO SY007472 [1,1,0,0,0,0|1,0,1]=4 367 B5R0.2 C#CCCOC SY261977 [1,1,0,0,0,0|1,0,1]=4 368 B5R0.2 C=CCCCCl SY115227 [1,1,0,0,0,0|1,0,0]=3 369 B5R0.2 C=CCCCN SY039810 [1,1,0,0,0,0|1,0,0]=3 370 B5R0.2 C=CCCON SY201687 [1,1,0,0,0,0|2,0,0]=4 371 B5R0.2 C=CCCON SY281557 [1,1,0,0,0,0|2,0,0]=4 372 B5R0.2 CCC#CC=O SY301692 [1,1,0,0,0,0|0,0,1]=3 373 B5R0.2 CCCCNN SY048097 [1,1,0,0,0,0|1,0,1]=4 374 B5R0.2 CCCCON SY013356 [1,1,0,0,0,0|0,0,2]=4 375 B5R0.2 CCCCON SY019069 [1,1,0,0,0,0|0,0,2]=4 376 B5R0.2 CNCCSC SY020435 [1,1,0,0,0,0|2,0,0]=4 377 B5R0.2 COCCNN SY048076 [1,1,0,0,0,0|2,0,0]=4 378 B5R0.2 ClCCCCI SY049669 [1,1,0,0,0,0|1,0,1]=4 379 B5R0.2 ICCCCI SY037746 [1,1,0,0,0,0|1,0,1]=4 380 B5R0.2 N#CCCC=O SY273827 [1,1,0,0,0,0|0,0,1]=3 381 B5R0.2 N#CCCCBr SY012834 [1,1,0,0,0,0|1,0,1]=4 382 B5R0.2 N#CCCCCl SY001790 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.2 NCCCCBr SY113500 [1,1,0,0,0,0|1,0,1]=4 384 B5R0.2 NCCCCN SY004150 [1,1,0,0,0,0|1,0,1]=4 385 B5R0.2 NCCCCO SY001196 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.2 NCCCON SY273643 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.2 NOCCCO SY204344 [1,1,0,0,0,0|2,0,0]=4 388 B5R0.2 NOCCCO SY281570 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.2 CC(CCl)CC(=O)Cl SY027797 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.2 CCC(C)CC(=O)Cl SY265619 [0,2,0,0,0,0|0,0,0]=2 391 B7R0.2 CCC(C)CC(C)N SY018617 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.2 CN(C=O)CC(=O)O SY224496 [0,2,0,0,0,0|1,0,1]=4 393 B7R0.2 O=C([O-])CC(O)CO SY296011 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.2 O=C([O-])C[C@H](O)CO SY293279 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.3 C[C@@H](CN)CCCO SY267124 [0,2,0,0,0,0|1,0,1]=4 396 B7R0.3 C[C@@H](CN)CCCO SY267125 [0,2,0,0,0,0|1,0,1]=4 397 B7R0.5 C#CCC(N)C(=O)O SY139497 [0,2,0,0,0,0|1,0,1]=4 398 B7R0.5 C#CC[C@@H](N)C(=O)O SY105090 [0,2,0,0,0,0|1,0,1]=4 399 B7R0.5 C=CCC(C)C(=O)O SY048335 [0,2,0,0,0,0|0,0,1]=3 400 B7R0.5 C=CCC(N)C(=O)O SY052428 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.5 C=CC[C@@H](N)C(=O)O SY064478 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.5 C=CC[C@H](N)C(=O)O SY008709 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.5 CC(=O)C(C)CCBr SY247638 [0,2,0,0,0,0|0,0,0]=2 404 B7R0.5 CC(CCCl)C(=O)Cl SY027796 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.5 CC=CC(C)C(=O)O SY254091 [0,2,0,0,0,0|0,0,1]=3 406 B7R0.5 CCCC(=O)C(N)=O SY251044 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.5 CCCC(N)C(=O)O SY035722 [0,2,0,0,0,0|1,0,0]=3 408 B7R0.5 CCCC(O)C(N)=O SY251045 [0,2,0,0,0,0|1,0,0]=3 409 B7R0.5 CCCN(C)C(=O)Cl SY042518 [0,2,0,0,0,0|1,0,0]=3 410 B7R0.5 CCC[C@@H](N)C(=O)O SY019949 [0,2,0,0,0,0|1,0,0]=3 411 B7R0.5 CCC[C@H](N)C(=O)O SY001938 [0,2,0,0,0,0|1,0,0]=3 412 B7R0.5 CCOC(=O)C(=O)O SY257067 [0,2,0,0,0,0|1,0,1]=4 413 B7R0.5 CCOC(=O)C(=O)[O-] SY057863 [0,2,0,0,0,0|1,0,1]=4 414 B7R0.5 CCOC(=O)C(N)=O SY047037 [0,2,0,0,0,0|1,0,1]=4 415 B7R0.5 CCOC(C)C(=O)O SY040144 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.5 CNC[C@H](N)C(=O)O SY013432 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.5 COCC(N)C(=O)O SY034134 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.5 COC[C@@H](N)C(=O)O SY023999 [0,2,0,0,0,0|1,0,0]=3 419 B7R0.5 COC[C@H](N)C(=O)O SY114490 [0,2,0,0,0,0|1,0,0]=3 420 B7R0.5 NC(CCO)C(=O)O SY005812 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.5 NCCC(N)C(=O)O SY005642 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.5 NCC[C@@H](N)C(=O)O SY005641 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.5 NCC[C@H](N)C(=O)O SY005640 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.5 NCC[C@H](O)C(=O)O SY008713 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.5 N[C@@H](CCO)C(=O)O SY005811 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.5 N[C@@H](CCS)C(=O)O SY026382 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.5 N[C@H](CCO)C(=O)O SY014844 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.10 CCC(=O)N(C)OC SY104588 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.10 CC[C@@H](N)C(=O)OC SY026012 [0,2,0,0,0,0|1,0,0]=3 430 B7R0.10 CC[C@H](C)[C@H](N)CF SY045877 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.10 CC[C@H](C)[C@H](N)CO SY014111 [0,2,0,0,0,0|0,0,2]=4 432 B7R0.10 CC[C@H](N)C(=O)OC SY096587 [0,2,0,0,0,0|1,0,0]=3 433 B7R0.10 COC(=O)C(Br)CO SY246714 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.10 COC(=O)C(C)C=O SY238219 [0,2,0,0,0,0|0,0,1]=3 435 B7R0.10 COC(=O)C(N)CO SY005975 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.10 COC(=O)C(O)CN SY029941 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.10 COC(=O)C(O)CO SY265586 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.10 COC(=O)[C@@H](Br)CO SY246715 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.10 COC(=O)[C@@H](C)CO SY016750 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.10 COC(=O)[C@@H](F)CN SY277955 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.10 COC(=O)[C@@H](N)CO SY005340 [0,2,0,0,0,0|2,0,0]=4 442 B7R0.10 COC(=O)[C@@H](N)CS SY021999 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.10 COC(=O)[C@@H](O)CO SY017442 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.10 COC(=O)[C@H](C)CBr SY059958 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.10 COC(=O)[C@H](C)CO SY031653 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.10 COC(=O)[C@H](N)CO SY008009 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.10 COC(=O)[C@H](N)CS SY076955 [0,2,0,0,0,0|2,0,0]=4 448 B7R0.10 COC(=O)[C@H](O)CO SY116554 [0,2,0,0,0,0|2,0,0]=4 449 B7R0.10 CON(C)C(=O)CCl SY002384 [0,2,0,0,0,0|2,0,0]=4 450 B7R0.10 NNC(=O)C(N)CO SY038029 [0,2,0,0,0,0|2,0,0]=4 451 B7R0.10 [C-]#[N+]C(C)C(=O)OC SY204645 [0,2,0,0,0,0|1,0,1]=4 452 B7R0.12 CCC(=CCBr)CC SY300550 [0,2,0,0,0,0|1,0,1]=4 453 B7R0.12 COCC(OC)OC SY050730 [0,2,0,0,0,0|2,0,0]=4 454 B7R0.12 NCCC(CO)CO SY309273 [0,2,0,0,0,0|0,0,2]=4 455 B7R0.13 C=CC(C)(C)C(=O)O SY056888 [0,2,0,0,0,0|0,0,2]=4 456 B7R0.13 CC(=O)C(C)(C)CO SY143436 [0,2,0,0,0,0|1,0,0]=3 457 B7R0.13 CC(C)(C#N)C(=O)O SY042840 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.13 CC(C)(CBr)C(=O)O SY139625 [0,2,0,0,0,0|1,0,0]=3 459 B7R0.13 CC(C)(CCl)C(=O)O SY051586 [0,2,0,0,0,0|1,0,0]=3 460 B7R0.13 CC(C)(CN)C(=O)O SY022797 [0,2,0,0,0,0|1,0,0]=3 461 B7R0.13 CC(C)(CN)C(N)=O SY021307 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.13 CC(C)(CO)C(=O)O SY017233 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.13 CC(N)(CO)C(=O)O SY047210 [0,2,0,0,0,0|1,0,0]=3 464 B7R0.13 CCC(C)(O)C(=O)O SY051605 [0,2,0,0,0,0|0,0,0]=2 465 B7R0.13 CC[C@@](C)(N)C(=O)O SY074815 [0,2,0,0,0,0|0,0,0]=2 466 B7R0.13 COC(C)(C)C(=O)O SY013214 [0,2,0,0,0,0|1,0,0]=3 467 B7R0.13 C[C@@](N)(CO)C(=O)O SY047311 [0,2,0,0,0,0|1,0,0]=3 468 B7R0.13 C[C@](N)(CO)C(=O)O SY047312 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.13 NCC(F)(F)C(=O)O SY014725 [0,2,0,0,0,0|2,0,0]=4 470 B7R0.13 NCC(F)(F)C(=O)O SY029532 [0,2,0,0,0,0|2,0,0]=4 471 B7R0.15 CCC(CC)C(N)=O SY096552 [0,2,0,0,0,0|0,0,0]=2 472 B7R0.15 CCC(OC)C(=O)O SY057653 [0,2,0,0,0,0|0,0,0]=2 473 B7R0.15 CCN(CC)C(=S)S SY073157 [0,2,0,0,0,0|1,1,0]=4 474 B7R0.15 CCN(CC)C(C)=O SY037752 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.15 CCN(N=O)C(C)C SY264873 [0,2,0,0,0,0|2,0,0]=4 476 B7R0.15 CN[C@@H](CS)C(=O)O SY237929 [0,2,0,0,0,0|1,0,0]=3 477 B7R0.15 COC(OC)C(C)Br SY025539 [0,2,0,0,0,0|2,0,0]=4 478 B7R0.16 CC(=O)C(C)C(C)=O SY048147 [0,2,0,0,0,0|0,0,1]=3 479 B7R0.16 CC(C(=O)O)C(=O)O SY006109 [0,2,0,0,0,0|1,0,1]=4 480 B7R0.16 CC(C)C(=O)C(=O)O SY005235 [0,2,0,0,0,0|1,0,1]=4 481 B7R0.16 CC(C)C(N)C(N)=O SY047906 [0,2,0,0,0,0|1,0,0]=3 482 B7R0.16 CC(C)[C@@H](Br)C(=O)O SY033749 [0,2,0,0,0,0|1,0,0]=3 483 B7R0.16 CC(C)[C@@H](N)C(=O)O SY002593 [0,2,0,0,0,0|1,0,0]=3 484 B7R0.16 CC(C)[C@@H](N)C(N)=O SY024218 [0,2,0,0,0,0|1,0,0]=3 485 B7R0.16 CC(C)[C@@H](O)C(=O)O SY041974 [0,2,0,0,0,0|1,0,0]=3 486 B7R0.16 CC(C)[C@H](N)C(=O)O SY002589 [0,2,0,0,0,0|1,0,0]=3 487 B7R0.16 CC(C)[C@H](N)C(N)=O SY024217 [0,2,0,0,0,0|1,0,0]=3 488 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SY026984 [0,2,0,0,0,0|1,0,0]=3 489 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SY020053 [0,2,0,0,0,0|1,0,0]=3 490 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SY034086 [0,2,0,0,0,0|1,0,0]=3 491 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SY018620 [0,2,0,0,0,0|1,0,0]=3 492 B7R0.16 C[C@H](O)[C@H](N)C(=O)O SY024226 [0,2,0,0,0,0|1,0,0]=3 493 B7R0.18 CC(C=O)(CO)CO SY265867 [0,2,0,0,0,0|1,0,0]=3 494 B7R0.18 CCC(N)(CO)CO SY036815 [0,2,0,0,0,0|0,0,2]=4 495 B5R1.2 BrC1CCC1 SY013810 [1,0,0,1,0,0|1,0,0]=3 496 B5R1.2 BrC1CNC1 SY097761 [1,0,0,1,0,0|2,0,0]=4 497 B5R1.2 CC1CCN1 SY099118 [1,0,0,1,0,0|1,0,0]=3 498 B5R1.2 CC1CNC1 SY056983 [1,0,0,1,0,0|1,0,1]=4 499 B5R1.2 C[C@@H]1CCN1 SY261901 [1,0,0,1,0,0|1,0,0]=3 500 B5R1.2 C[C@H]1CCN1 SY249704 [1,0,0,1,0,0|1,0,0]=3 501 B5R1.2 ClC1COC1 SY059296 [1,0,0,1,0,0|2,0,0]=4 502 B5R1.2 FC1CNC1 SY018074 [1,0,0,1,0,0|2,0,0]=4 503 B5R1.2 IC1CCC1 SY233989 [1,0,0,1,0,0|1,0,0]=3 504 B5R1.2 IC1COC1 SY009160 [1,0,0,1,0,0|2,0,0]=4 505 B5R1.2 NC1CCC1 SY013751 [1,0,0,1,0,0|1,0,0]=3 506 B5R1.2 NC1CNC1 SY033623 [1,0,0,1,0,0|2,0,0]=4 507 B5R1.2 NC1COC1 SY009105 [1,0,0,1,0,0|2,0,0]=4 508 B5R1.2 NC1CSC1 SY097616 [1,0,0,1,0,0|2,0,0]=4 509 B5R1.2 O=C1CNC1 SY027144 [1,0,0,1,0,0|1,0,1]=4 510 B5R1.2 O=C1COC1 SY003915 [1,0,0,1,0,0|1,0,1]=4 511 B5R1.2 OC1CNC1 SY002482 [1,0,0,1,0,0|1,0,1]=4 512 B5R1.2 OC1COC1 SY002910 [1,0,0,1,0,0|1,0,1]=4 513 B5R1.2 OC1CSC1 SY099721 [1,0,0,1,0,0|1,0,1]=4 514 B5R1.3 ICC1CC1 SY266775 [1,0,0,1,0,0|1,0,1]=4 515 B5R1.3 NNC1CC1 SY024161 [1,0,0,1,0,0|2,0,0]=4 516 B5R1.3 OC[C@@H]1CO1 SY013955 [1,0,0,1,0,0|1,0,1]=4 517 B5R1.3 OC[C@H]1CO1 SY031944 [1,0,0,1,0,0|1,0,1]=4 518 B5R1.4 C[C@@H]1O[C@H]1C SY224137 [1,0,0,1,0,0|0,0,1]=3 519 B5R1.4 NC1CC1F SY265040 [1,0,0,1,0,0|2,0,0]=4 520 B5R1.4 NC1CC1N SY249366 [1,0,0,1,0,0|2,0,0]=4 521 B5R1.4 N[C@@H]1C[C@H]1F SY259032 [1,0,0,1,0,0|2,0,0]=4 522 B5R1.4 N[C@@H]1C[C@H]1N SY253855 [1,0,0,1,0,0|2,0,0]=4 523 B5R1.4 N[C@H]1C[C@H]1F SY265042 [1,0,0,1,0,0|2,0,0]=4 524 B5R1.4 N[C@H]1C[C@H]1N SY249367 [1,0,0,1,0,0|2,0,0]=4 525 B5R1.5 CC1(N)CC1 SY029028 [1,0,0,1,0,0|1,0,0]=3 526 B5R1.5 CC1(O)CC1 SY022540 [1,0,0,1,0,0|0,0,1]=3 527 B5R1.5 NC1(O)CC1 SY278292 [1,0,0,1,0,0|1,0,1]=4 528 B5R1.5 O=S1(=O)CC1 SY268817 [1,0,0,1,0,0|2,0,0]=4 529 B5R1.1 C1=CCNC1 SY012047 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.1 BrCC1CCOC1 SY042030 [0,1,0,1,0,0|0,0,2]=4 531 B7R1.1 C#CC1CCCC1 SY047862 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.1 C#CC1CCCO1 SY284812 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.1 C#CC1CCNC1 SY284818 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.1 CC[C@@H]1CCCN1 SY103107 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.1 CNC1CCOC1 SY048009 [0,1,0,1,0,0|0,0,2]=4 536 B7R1.1 CN[C@@H]1CCOC1 SY268189 [0,1,0,1,0,0|0,0,2]=4 537 B7R1.1 COC1CCNC1 SY043121 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.1 COC1CCNC1 SY097408 [0,1,0,1,0,0|1,0,1]=4 539 B7R1.1 CO[C@@H]1CCNC1 SY042148 [0,1,0,1,0,0|1,0,1]=4 540 B7R1.1 CO[C@@H]1CCNC1 SY056981 [0,1,0,1,0,0|1,0,1]=4 541 B7R1.1 CO[C@H]1CCNC1 SY042488 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.1 ClCC1CCCO1 SY049357 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.1 FCC1CCNC1 SY265543 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.1 FC[C@H]1CCCN1 SY098832 [0,1,0,1,0,0|1,0,1]=4 545 B7R1.1 N#CC1CCCN1 SY026581 [0,1,0,1,0,0|1,0,1]=4 546 B7R1.1 N#CC1CCCO1 SY012529 [0,1,0,1,0,0|1,0,1]=4 547 B7R1.1 N#CC1CCNC1 SY021188 [0,1,0,1,0,0|1,0,1]=4 548 B7R1.1 N#CC1CCOC1 SY042080 [0,1,0,1,0,0|1,0,1]=4 549 B7R1.1 N#C[C@@H]1CCCN1 SY006280 [0,1,0,1,0,0|1,0,1]=4 550 B7R1.1 N#C[C@@H]1CCNC1 SY096996 [0,1,0,1,0,0|1,0,1]=4 551 B7R1.1 N#C[C@H]1CCCN1 SY007468 [0,1,0,1,0,0|1,0,1]=4 552 B7R1.1 NCC1CCCC1 SY013219 [0,1,0,1,0,0|1,0,1]=4 553 B7R1.1 NCC1CCCC1 SY025882 [0,1,0,1,0,0|1,0,1]=4 554 B7R1.1 NCC1CCOC1 SY042027 [0,1,0,1,0,0|0,0,2]=4 555 B7R1.1 NC[C@@H]1CCCO1 SY012535 [0,1,0,1,0,0|1,0,1]=4 556 B7R1.1 NN[C@@H]1CCOC1 SY295255 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.1 O=CC1CCCC1 SY004589 [0,1,0,1,0,0|0,0,0]=2 558 B7R1.1 O=CC1CCCO1 SY024520 [0,1,0,1,0,0|0,0,0]=2 559 B7R1.1 O=CC1CCOC1 SY046752 [0,1,0,1,0,0|0,0,0]=2 560 B7R1.1 O=CN1CCCC1 SY252984 [0,1,0,1,0,0|1,0,0]=3 561 B7R1.1 O=NN1CCCC1 SY115826 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.1 OCC1CC=CC1 SY019811 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.1 OCC1CCCC1 SY006011 [0,1,0,1,0,0|0,0,2]=4 564 B7R1.1 OCC1CCCN1 SY013851 [0,1,0,1,0,0|0,0,2]=4 565 B7R1.1 OCC1CCNC1 SY018506 [0,1,0,1,0,0|0,0,2]=4 566 B7R1.1 OCC1CCNC1 SY021497 [0,1,0,1,0,0|0,0,2]=4 567 B7R1.1 OCC1CCOC1 SY030918 [0,1,0,1,0,0|0,0,2]=4 568 B7R1.1 OC[C@@H]1CCCO1 SY227666 [0,1,0,1,0,0|0,0,2]=4 569 B7R1.1 OC[C@@H]1CCNC1 SY008238 [0,1,0,1,0,0|0,0,2]=4 570 B7R1.1 OC[C@H]1CCCN1 SY013466 [0,1,0,1,0,0|0,0,2]=4 571 B7R1.1 OC[C@H]1CCCO1 SY106537 [0,1,0,1,0,0|0,0,2]=4 572 B7R1.1 OC[C@H]1CCNC1 SY008227 [0,1,0,1,0,0|0,0,2]=4 573 B7R1.2 CC1CCC(=O)C1 SY003033 [0,1,0,1,0,0|0,0,0]=2 574 B7R1.2 CC1CCC(=O)O1 SY011304 [0,1,0,1,0,0|0,0,0]=2 575 B7R1.2 CC1CCC(C)N1 SY140252 [0,1,0,1,0,0|1,0,1]=4 576 B7R1.2 CC1CCC(N)C1 SY156765 [0,1,0,1,0,0|1,0,1]=4 577 B7R1.2 CC1CNC(=O)C1 SY065050 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.2 CC1COC(=O)N1 SY037847 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.2 C[C@@H]1COC(=O)N1 SY037848 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.2 C[C@@H]1COC(=O)O1 SY008770 [0,1,0,1,0,0|1,0,0]=3 581 B7R1.2 C[C@@H]1C[C@H](O)CN1 SY038467 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.2 C[C@H]1COC(=O)N1 SY037849 [0,1,0,1,0,0|1,0,0]=3 583 B7R1.2 C[C@H]1COC(=O)O1 SY066861 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.2 C[C@H]1C[C@@H](O)CN1 SY099690 [0,1,0,1,0,0|2,0,0]=4 585 B7R1.2 N[C@@H]1COC(=O)C1 SY033765 [0,1,0,1,0,0|2,0,0]=4 586 B7R1.2 N[C@H]1COC(=O)C1 SY033771 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.2 O=C1CC(O)CN1 SY031844 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.2 O=C1CCC(=O)C1 SY003377 [0,1,0,1,0,0|1,0,1]=4 589 B7R1.2 O=C1CCC(O)C1 SY040217 [0,1,0,1,0,0|1,0,0]=3 590 B7R1.2 O=C1C[C@@H](O)CN1 SY030867 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.2 O=C1C[C@@H](O)CO1 SY109477 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.2 O=C1C[C@H](O)CN1 SY025368 [0,1,0,1,0,0|2,0,0]=4 593 B7R1.2 O=C1C[C@H](O)CO1 SY002401 [0,1,0,1,0,0|2,0,0]=4 594 B7R1.2 O=C1OCC(F)O1 SY017141 [0,1,0,1,0,0|2,0,0]=4 595 B7R1.3 CC1=CC=CCC1 SY292105 [0,1,0,1,0,0|1,0,1]=4 596 B7R1.3 CC1=CCCC=C1 SY292104 [0,1,0,1,0,0|1,0,1]=4 597 B7R1.3 CC1CNCCO1 SY008226 [0,1,0,1,0,0|1,0,1]=4 598 B7R1.3 CC1COCCN1 SY028991 [0,1,0,1,0,0|0,0,2]=4 599 B7R1.3 C[C@@H]1CCCNC1 SY069171 [0,1,0,1,0,0|1,0,1]=4 600 B7R1.3 C[C@@H]1CNCCN1 SY004931 [0,1,0,1,0,0|1,0,1]=4 601 B7R1.3 C[C@@H]1CNCCO1 SY021208 [0,1,0,1,0,0|1,0,1]=4 602 B7R1.3 C[C@@H]1CNCCO1 SY032742 [0,1,0,1,0,0|1,0,1]=4 603 B7R1.3 C[C@@H]1COCCN1 SY021211 [0,1,0,1,0,0|0,0,2]=4 604 B7R1.3 C[C@@H]1COCCN1 SY023875 [0,1,0,1,0,0|0,0,2]=4 605 B7R1.3 C[C@H]1CCCNC1 SY115150 [0,1,0,1,0,0|1,0,1]=4 606 B7R1.3 C[C@H]1CCCNC1 SY273114 [0,1,0,1,0,0|1,0,1]=4 607 B7R1.3 C[C@H]1CNCCO1 SY021210 [0,1,0,1,0,0|1,0,1]=4 608 B7R1.3 C[C@H]1CNCCO1 SY043150 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.3 C[C@H]1COCCN1 SY002673 [0,1,0,1,0,0|0,0,2]=4 610 B7R1.3 C[C@H]1COCCN1 SY023874 [0,1,0,1,0,0|0,0,2]=4 611 B7R1.3 ClC1C=CCCC1 SY054691 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.3 OC1CC=CCC1 SY264800 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.4 C=C1CCOC1=O SY013907 [0,1,0,1,0,0|0,0,2]=4 614 B7R1.4 CC1=CCNC1=O SY295114 [0,1,0,1,0,0|0,0,2]=4 615 B7R1.4 CC1CCCC1=O SY045483 [0,1,0,1,0,0|0,0,0]=2 616 B7R1.4 CC1CCOC1=O SY051660 [0,1,0,1,0,0|0,0,0]=2 617 B7R1.4 CC1OCCC1=O SY001818 [0,1,0,1,0,0|0,0,0]=2 618 B7R1.4 CC1SCCC1=O SY003998 [0,1,0,1,0,0|0,0,0]=2 619 B7R1.4 C[C@@H]1CNC[C@@H]1O SY124368 [0,1,0,1,0,0|0,0,2]=4 620 B7R1.4 C[C@H]1CCC[C@H]1N SY254157 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.4 NC1CCOC1=O SY111957 [0,1,0,1,0,0|1,0,0]=3 622 B7R1.4 NC1CCSC1=O SY038927 [0,1,0,1,0,0|1,0,0]=3 623 B7R1.4 NN1CCCC1=O SY105332 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.4 NN1CCOC1=O SY038618 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.4 N[C@@H]1CCNC1=O SY034730 [0,1,0,1,0,0|1,0,0]=3 626 B7R1.4 N[C@@H]1CCOC1=O SY017502 [0,1,0,1,0,0|1,0,0]=3 627 B7R1.4 N[C@@H]1CONC1=O SY005636 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.4 N[C@H]1CCNC1=O SY022467 [0,1,0,1,0,0|1,0,0]=3 629 B7R1.4 N[C@H]1CCOC1=O SY027501 [0,1,0,1,0,0|1,0,0]=3 630 B7R1.4 N[C@H]1CCOC1=O SY030497 [0,1,0,1,0,0|1,0,0]=3 631 B7R1.4 O=C1CCCC1=O SY057516 [0,1,0,1,0,0|1,0,1]=4 632 B7R1.4 O=C1CCCC1F SY200677 [0,1,0,1,0,0|1,0,0]=3 633 B7R1.4 O=C1NCCC1Br SY067750 [0,1,0,1,0,0|1,0,0]=3 634 B7R1.4 O=C1NCCC1O SY017439 [0,1,0,1,0,0|1,0,0]=3 635 B7R1.4 O=C1NCC[C@@H]1O SY020466 [0,1,0,1,0,0|1,0,0]=3 636 B7R1.4 O=C1OCCC1Br SY001762 [0,1,0,1,0,0|1,0,0]=3 637 B7R1.4 O=C1OCCC1O SY052569 [0,1,0,1,0,0|1,0,0]=3 638 B7R1.4 O=C1OCC[C@@H]1O SY027538 [0,1,0,1,0,0|1,0,0]=3 639 B7R1.6 CCOC1CNC1 SY198400 [0,1,0,1,0,0|1,0,1]=4 640 B7R1.6 CNCC1COC1 SY113244 [0,1,0,1,0,0|0,0,2]=4 641 B7R1.6 COCC1CCN1 SY122024 [0,1,0,1,0,0|2,0,0]=4 642 B7R1.6 COCC1CNC1 SY060329 [0,1,0,1,0,0|1,0,1]=4 643 B7R1.6 ICCC1COC1 SY249454 [0,1,0,1,0,0|0,0,2]=4 644 B7R1.6 NCCC1CNC1 SY263737 [0,1,0,1,0,0|1,0,1]=4 645 B7R1.6 NOCC1CCC1 SY216380 [0,1,0,1,0,0|0,0,2]=4 646 B7R1.6 NOCC1CCC1 SY281574 [0,1,0,1,0,0|0,0,2]=4 647 B7R1.6 O=CCC1CCC1 SY025254 [0,1,0,1,0,0|0,0,0]=2 648 B7R1.6 OCCC1CCO1 SY099736 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.6 OCCC1COC1 SY097532 [0,1,0,1,0,0|0,0,2]=4 650 B7R1.8 CN1CC[C@H]1CN SY284568 [0,1,0,1,0,0|1,0,1]=4 651 B7R1.9 COC1CC1C=O SY277013 [0,1,0,1,0,0|0,0,0]=2 652 B7R1.10 C#CC1CN(C)C1 SY284823 [0,1,0,1,0,0|1,0,1]=4 653 B7R1.10 CC1CC(CO)C1 SY217481 [0,1,0,1,0,0|0,0,2]=4 654 B7R1.10 CCC1CC(=O)C1 SY200344 [0,1,0,1,0,0|0,0,0]=2 655 B7R1.10 CN1CC(CO)C1 SY233850 [0,1,0,1,0,0|0,0,2]=4 656 B7R1.10 CNC1CN(C)C1 SY031560 [0,1,0,1,0,0|2,0,0]=4 657 B7R1.10 COC1CC(=O)C1 SY098914 [0,1,0,1,0,0|1,0,0]=3 658 B7R1.10 CO[C@H]1C[C@H](N)C1 SY100296 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.10 N#CC1CC(=O)C1 SY024404 [0,1,0,1,0,0|1,0,1]=4 660 B7R1.10 N#CC1CC(O)C1 SY033823 [0,1,0,1,0,0|1,0,1]=4 661 B7R1.10 NC1CC(CO)C1 SY098739 [0,1,0,1,0,0|0,0,2]=4 662 B7R1.10 NCC1CC(O)C1 SY098741 [0,1,0,1,0,0|1,0,1]=4 663 B7R1.10 NC[C@H]1C[C@@H](O)C1 SY098823 [0,1,0,1,0,0|1,0,1]=4 664 B7R1.10 N[C@H]1C[C@H](CO)C1 SY038401 [0,1,0,1,0,0|0,0,2]=4 665 B7R1.10 O=C1CC(CBr)O1 SY250803 [0,1,0,1,0,0|1,0,0]=3 666 B7R1.10 O=C1C[C@@H](CO)N1 SY278869 [0,1,0,1,0,0|1,0,0]=3 667 B7R1.22 C=C[C@H](O)[C@H]1CO1 SY268637 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.25 C#CC1(N)CCC1 SY130115 [0,1,0,1,0,0|1,0,1]=4 669 B7R1.25 CC1(C#N)CNC1 SY042231 [0,1,0,1,0,0|1,0,1]=4 670 B7R1.25 CC1(C=O)COC1 SY029425 [0,1,0,1,0,0|0,0,0]=2 671 B7R1.25 CC1(CBr)CCC1 SY265178 [0,1,0,1,0,0|1,0,1]=4 672 B7R1.25 CC1(CBr)COC1 SY008845 [0,1,0,1,0,0|1,0,1]=4 673 B7R1.25 CC1(CI)COC1 SY041717 [0,1,0,1,0,0|1,0,1]=4 674 B7R1.25 CC1(CN)CCC1 SY042130 [0,1,0,1,0,0|1,0,1]=4 675 B7R1.25 CC1(CN)COC1 SY008846 [0,1,0,1,0,0|1,0,1]=4 676 B7R1.25 CC1(CO)CNC1 SY037707 [0,1,0,1,0,0|0,0,2]=4 677 B7R1.25 CC1(CO)COC1 SY004123 [0,1,0,1,0,0|0,0,2]=4 678 B7R1.25 COC1(C)CNC1 SY042211 [0,1,0,1,0,0|2,0,0]=4 679 B7R1.25 N#CC1(O)CCC1 SY129254 [0,1,0,1,0,0|1,0,1]=4 680 B7R1.25 NC1(CO)CCC1 SY098454 [0,1,0,1,0,0|0,0,2]=4 681 B7R1.25 NC1(CO)CCC1 SY140856 [0,1,0,1,0,0|0,0,2]=4 682 B7R1.25 NCC1(O)CCC1 SY097074 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.12 CC1=CC1C(=O)O SY273475 [0,1,0,1,0,0|0,0,2]=4 684 B7R1.12 C[C@H]1C[C@@H]1B(O)O SY297714 [0,1,0,1,0,0|1,0,1]=4 685 B7R1.12 O=C(O)C1CC1F SY073271 [0,1,0,1,0,0|1,0,0]=3 686 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY069957 [0,1,0,1,0,0|1,0,0]=3 687 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SY071317 [0,1,0,1,0,0|1,0,0]=3 688 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I SY263918 [0,1,0,1,0,0|1,0,0]=3 689 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SY071548 [0,1,0,1,0,0|1,0,0]=3 690 B7R1.12 O=C(O)[C@H]1C[C@H]1F SY071316 [0,1,0,1,0,0|1,0,0]=3 691 B7R1.12 O=C(O)[C@H]1C[C@H]1I SY245634 [0,1,0,1,0,0|1,0,0]=3 692 B7R1.17 O=C1CCC1(Br)Br SY283115 [0,1,0,1,0,0|1,0,0]=3 693 B7R1.18 CC(N)C1CCC1 SY144911 [0,1,0,1,0,0|1,0,1]=4 694 B7R1.18 N=C(N)C1CCC1 SY016171 [0,1,0,1,0,0|1,0,0]=3 695 B7R1.18 NC(=O)C1CCC1 SY026669 [0,1,0,1,0,0|0,0,0]=2 696 B7R1.18 NC(=S)C1CCC1 SY139742 [0,1,0,1,0,0|0,1,0]=3 697 B7R1.18 O=C(Cl)N1CCC1 SY268945 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.18 O=C(O)C1CCN1 SY013679 [0,1,0,1,0,0|1,0,0]=3 699 B7R1.18 O=C(O)C1CCO1 SY033341 [0,1,0,1,0,0|1,0,0]=3 700 B7R1.18 O=C(O)C1CNC1 SY002050 [0,1,0,1,0,0|1,0,0]=3 701 B7R1.18 O=C(O)C1COC1 SY008837 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.18 O=C(O)[C@@H]1CCN1 SY004809 [0,1,0,1,0,0|1,0,0]=3 703 B7R1.18 O=C(O)[C@@H]1CCO1 SY269134 [0,1,0,1,0,0|1,0,0]=3 704 B7R1.18 O=C(O)[C@H]1CCN1 SY077312 [0,1,0,1,0,0|1,0,0]=3 705 B7R1.18 O=[N+]([O-])C1CCC1 SY013426 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.19 CC1(B(O)O)CC1 SY282665 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.19 CC1(C(=O)O)CC1 SY003983 [0,1,0,1,0,0|0,0,0]=2 708 B7R1.19 CC1(C(N)=O)CC1 SY096633 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.19 NC1(C(=O)O)CC1 SY002598 [0,1,0,1,0,0|1,0,0]=3 710 B7R1.19 NC1(C(=O)O)CC1 SY002607 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.19 O=C(O)C1(F)CC1 SY058672 [0,1,0,1,0,0|1,0,0]=3 712 B7R1.19 O=C(O)C1(I)CC1 SY265152 [0,1,0,1,0,0|1,0,0]=3 713 B7R1.19 O=C(O)C1(O)CC1 SY097482 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.14 CC1(C)C=CCC1 SY264810 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.14 CC1(C)CCCN1 SY018505 [0,1,0,1,0,0|2,0,0]=4 716 B7R1.14 CC1(C)CCCN1 SY081253 [0,1,0,1,0,0|2,0,0]=4 717 B7R1.14 CC1(C)CCNC1 SY042120 [0,1,0,1,0,0|1,0,1]=4 718 B7R1.14 CC1(O)CCNC1 SY036721 [0,1,0,1,0,0|1,0,1]=4 719 B7R1.14 C[C@@]1(O)CCNC1 SY233757 [0,1,0,1,0,0|1,0,1]=4 720 B7R1.14 C[C@@]1(O)CCNC1 SY310803 [0,1,0,1,0,0|1,0,1]=4 721 B7R1.14 C[C@]1(O)CCNC1 SY233715 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.14 C[C@]1(O)CCNC1 SY233747 [0,1,0,1,0,0|1,0,1]=4 723 B7R1.29 BrCC1(CBr)CC1 SY105835 [0,1,0,1,0,0|1,0,1]=4 724 B7R1.29 CNC1(C#N)CC1 SY286334 [0,1,0,1,0,0|1,0,1]=4 725 B7R1.29 N#CC1(CN)CC1 SY119873 [0,1,0,1,0,0|1,0,1]=4 726 B7R1.29 N#CC1(CO)CC1 SY045943 [0,1,0,1,0,0|1,0,1]=4 727 B7R1.29 NCC1(CO)CC1 SY030738 [0,1,0,1,0,0|0,0,2]=4 728 B7R1.29 OCC1(CO)CC1 SY002066 [0,1,0,1,0,0|0,0,2]=4 729 B7R2.11 C1NC2CC1C2 SY098317 [0,0,0,2,0,0|1,0,1]=4 730 B7R2.13 C1CC2CC2C1 SY274842 [0,0,0,2,0,0|1,0,1]=4 731 B7R2.13 C1NCC2CC12 SY029030 [0,0,0,2,0,0|1,0,1]=4 732 B7R2.8 OC1C2CC1C2 SY294157 [0,0,0,2,0,0|0,0,2]=4 733 B7R2.16 C1CC12CNC2 SY269596 [0,0,0,2,0,0|1,0,1]=4 734 B7R2.16 C1CC2(C1)CO2 SY253039 [0,0,0,2,0,0|0,0,2]=4