0 B6R0.4 C#CCCC(=O)O P68088 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.4 C#CCNC(N)=O P40179 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C=CCCC(=O)O P37823 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.4 C=CCCC(N)=O P5022 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 C=C\C=C/C(=O)O P41118 [0,0,0,0,0,0|0,0,4]=4 5 B6R0.4 CC(=O)CCCCl C68599 [0,0,0,0,0,0|2,0,0]=2 6 B6R0.4 CC(=O)NCCN A68626 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.4 CC(=O)NCCO H68625 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CC(=O)OCCBr B67892 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CC(C)=CCCBr B0351 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CC(C)=CCC[Mg+] M31885 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.4 CC(C)CCCO M67872 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CCCCC(=N)N P41343 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,0,0,0,0|0,0,1]=1 14 B6R0.4 CCCOC(N)=O P40264 [0,0,0,0,0,0|2,0,0]=2 15 B6R0.4 CN(C)CCCBr B40430 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 CN(C)CCCCl C69241 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CNCCC(=O)O M40350 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.4 CNCCN(C)C T41392 [0,0,0,0,0,0|4,0,0]=4 19 B6R0.4 COC=CC(C)=O M41222 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.4 COCCC(=O)O M40255 [0,0,0,0,0,0|1,0,0]=1 21 B6R0.4 N#CCCC(=O)O C69146 [0,0,0,0,0,0|1,0,1]=2 22 B6R0.4 NCCCC(N)=O A40304 [0,0,0,0,0,0|2,0,0]=2 23 B6R0.4 O=C(O)CCCBr B39154 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.4 O=C(O)CCCCl C40232 [0,0,0,0,0,0|1,0,0]=1 25 B6R0.4 O=C(O)\C=C\CBr B37272 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 C#CCC(=O)O B38084 [1,0,0,0,0,0|0,0,2]=3 27 B5R0.1 C=C(C)OCC E5573 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CC#CC(=O)O B67945 [1,0,0,0,0,0|0,0,2]=3 29 B5R0.1 CC(=O)CC#N X40158 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CC(=O)CCCl C69539 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CCCB(O)O P5056 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CCC[C@@H](C)N P16023 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CCC[C@H](C)N P22363 [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 CCOC(=N)N E36845 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 CCOC(=S)[S-] P69346 [1,0,0,0,0,0|1,2,0]=4 36 B5R0.1 CCOC(C)=N E68065 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CNCC(=O)O M68590 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 CNCC(N)=O M68358 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 COCC(=N)N M39928 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 COCC(=O)O M69331 [1,0,0,0,0,0|1,0,0]=2 41 B5R0.1 COC[C@@H](C)O M39959 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.1 COC[C@H](C)O M61064 [1,0,0,0,0,0|2,0,1]=4 43 B5R0.1 C[C@H](O)CCO B68917 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.1 N#CCC(N)=O C60562 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.1 NCCC(N)=O A67869 [1,0,0,0,0,0|2,0,0]=3 46 B5R0.1 NCC[P@H](=O)O A39788 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 NOCC(=O)O C40302 [1,0,0,0,0,0|2,0,0]=3 48 B5R0.1 O=C(O)\C=C\Br B9431 [1,0,0,0,0,0|1,0,2]=4 49 B5R0.1 O=[N+]([O-])CCO N39779 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 BrCCCCBr D69410 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 C#CCCCCl C68183 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 C#CCCCI I8474 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 C#CCCCN P41368 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 C#CCCCO P68382 [1,0,0,0,0,0|0,0,3]=4 55 B5R0.2 C=CCCCBr B41237 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 C=CCCCCl C41238 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 C=CCCCO P36921 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 CCCCON B40310 [1,0,0,0,0,0|2,0,0]=3 59 B5R0.2 CCO\C=C/Br B2725 [1,0,0,0,0,0|2,0,1]=4 60 B5R0.2 CNCCCCl C39954 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.2 CNCCCO M36844 [1,0,0,0,0,0|1,0,1]=3 62 B5R0.2 CNCCOC M23409 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.2 COCCC#N M39153 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.2 COCCCBr B68335 [1,0,0,0,0,0|2,0,1]=4 65 B5R0.2 COCCCO M69411 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.2 ClCCCCI C40239 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 ICCCCI D37834 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 N#CCCCBr B67593 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 N#CCCCCl C64907 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 NCCCCBr B39952 [1,0,0,0,0,0|2,0,1]=4 71 B5R0.2 NCCCCN D39162 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.2 OCCCCBr B67330 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,0,0,0,0|1,0,1]=3 74 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,0,0,0,0|2,0,1]=4 75 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,0,0,0,0|0,0,0]=1 76 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,0,0,0,0|0,0,0]=1 77 B7R0.2 COC(=O)CC(=O)Cl M40174 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.2 COC(=O)CC(=O)O M37882 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.2 COC(=O)CC(=O)[O-] P67199 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,1,0,0,0,0|1,0,0]=2 82 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,1,0,0,0,0|1,0,0]=2 83 B7R0.3 C=CC(=O)NCCN A41315 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.3 CCCCC(=O)NN P40425 [0,1,0,0,0,0|1,0,0]=2 85 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,0,0,0,0|1,0,1]=3 86 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.3 CCCOC(=O)OC M40388 [0,1,0,0,0,0|1,0,0]=2 88 B7R0.3 CNCCC(=O)OC M40412 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.3 COC(=N)CCCCl M40379 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.3 COC(=O)C=CCBr M37461 [0,1,0,0,0,0|1,0,2]=4 91 B7R0.3 COC(=O)CCCBr M39189 [0,1,0,0,0,0|1,0,0]=2 92 B7R0.3 COC(=O)CCCCl M60517 [0,1,0,0,0,0|1,0,0]=2 93 B7R0.3 COC(=O)CCCN M32376 [0,1,0,0,0,0|1,0,0]=2 94 B7R0.3 COC(=O)CN=[N+]=[N-] M3461 [0,1,0,0,0,0|3,0,0]=4 95 B7R0.3 COC(=O)CNC=O M40228 [0,1,0,0,0,0|2,0,1]=4 96 B7R0.3 COC(=O)\C=C\CBr M41176 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.3 COC=CC(=O)OC M39186 [0,1,0,0,0,0|1,0,2]=4 98 B7R0.3 CO\C=C\C(=O)OC M41228 [0,1,0,0,0,0|1,0,2]=4 99 B7R0.4 C#CCCCC(=O)O H43301 [0,1,0,0,0,0|0,0,1]=2 100 B7R0.4 CC(=O)CCCCBr B41532 [0,1,0,0,0,0|1,0,0]=2 101 B7R0.4 CC(=O)OCCCBr B41266 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.4 CC(=O)OCCCCl C39190 [0,1,0,0,0,0|2,0,0]=3 103 B7R0.4 CC(C)CCCCBr B43898 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.4 CCCCCB(O)O P38628 [0,1,0,0,0,0|1,0,1]=3 105 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,0,0,0,0|1,0,1]=3 106 B7R0.4 CCCCOC(N)=O B39165 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.4 CCCOCC(=O)O P40387 [0,1,0,0,0,0|0,0,0]=1 108 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,0,0,0,0|0,0,1]=2 109 B7R0.4 CCOC=CC(=O)O E41226 [0,1,0,0,0,0|0,0,2]=3 110 B7R0.4 CN(C)CCCCO D41621 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.4 CNCCCC(=O)O M63276 [0,1,0,0,0,0|0,0,0]=1 112 B7R0.4 COCCCC(=O)O M67387 [0,1,0,0,0,0|0,0,0]=1 113 B7R0.4 COCCNC(=N)N M37240 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.4 COCCNC(N)=O M36648 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.4 COC\C=C\C(=O)O M63576 [0,1,0,0,0,0|0,0,2]=3 116 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.4 N#CCCCC(=O)O C41166 [0,1,0,0,0,0|0,0,1]=2 118 B7R0.4 NC(=O)COCCCl C40247 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.4 O=C(O)CCCCBr B39187 [0,1,0,0,0,0|0,0,0]=1 120 B7R0.4 O=C(O)CCCCCl C39191 [0,1,0,0,0,0|0,0,0]=1 121 B7R0.4 O=C(O)CCCCO H37199 [0,1,0,0,0,0|0,0,0]=1 122 B7R0.4 O=C(O)CNCCO H40270 [0,1,0,0,0,0|1,0,0]=2 123 B7R0.4 O=C(O)COCCCl C40236 [0,1,0,0,0,0|1,0,0]=2 124 B7R0.4 O=C([O-])CCCCO S41306 [0,1,0,0,0,0|0,0,1]=2 125 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,1,0,0,0,0|0,0,2]=3 127 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,1,0,0,0,0|0,0,2]=3 128 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,1,0,0,0,0|0,0,2]=3 129 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,1,0,0,0,0|0,0,2]=3 130 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,1,0,0,0,0|0,0,2]=3 131 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,1,0,0,0,0|0,0,2]=3 132 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,1,0,0,0,0|0,0,2]=3 133 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,0,0,0,0|0,0,2]=3 134 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,0,0,0,0|0,0,0]=1 135 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,0,0,0,0|0,0,0]=1 136 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,0,0,0,0|0,0,2]=3 140 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,1,0,0,0,0|1,0,0]=2 141 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,1,0,0,0,0|1,0,0]=2 142 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,1,0,0,0,0|1,0,0]=2 143 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,1,0,0,0,0|1,0,0]=2 144 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,1,0,0,0,0|1,0,0]=2 145 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,1,0,0,0,0|1,0,0]=2 147 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,1,0,0,0,0|1,0,0]=2 149 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,0,0,0,0|1,0,0]=2 150 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,1,0,0,0,0|2,0,0]=3 151 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,1,0,0,0,0|1,0,0]=2 152 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,1,0,0,0,0|1,0,0]=2 153 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,1,0,0,0,0|1,0,0]=2 155 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.6 CC(=O)CCC(C)=O H64912 [0,1,0,0,0,0|1,0,1]=3 157 B7R0.6 CC(=O)CNC(C)=O X41261 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.6 CC(=O)NNC(C)C P40426 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.6 CN(C)CCC(=O)O D41335 [0,1,0,0,0,0|1,0,0]=2 160 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,1,0,0,0,0|1,0,1]=3 161 B7R0.6 NC(=O)CCC(=O)O A63078 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.6 O=C(O)CCC(F)F D59737 [0,1,0,0,0,0|1,0,0]=2 163 B7R0.6 O=C([O-])CSC(F)F P64375 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.8 CCCC[B-](F)(F)F P39941 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.8 CCCNS(N)(=O)=O P36709 [0,1,0,0,0,0|2,0,1]=4 166 B7R0.8 CCCNS([NH-])(=O)=O P39802 [0,1,0,0,0,0|2,0,1]=4 167 B7R0.8 CCCNS([NH-])(=O)=O P39890 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.8 COCCS(=O)(=O)Cl M7006 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.8 CS(=O)(=O)CCCO M6981 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.8 NCCOS(=O)(=O)O A61952 [0,1,0,0,0,0|3,0,0]=4 171 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,1,0,0|1,0,1]=3 172 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,1,0,0|2,0,0]=3 175 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,0,0,1,0,0|2,0,1]=4 176 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,0,0,1,0,0|2,0,1]=4 177 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,1,0,0|2,0,1]=4 179 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,1,0,0|2,0,0]=3 181 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,0,0,1,0,0|2,0,1]=4 182 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,1,0,0|1,0,0]=2 183 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,1,0,0|2,0,0]=3 184 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,0,0,1,0,0|2,0,1]=4 185 B7R1.2 NC1CCC(O)C1 A1764 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,1,0,0|3,0,0]=4 193 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,1,0,0|3,0,0]=4 194 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,1,0,0|2,0,1]=4 200 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,1,0,0|2,0,0]=3 201 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.2 OC1CCC(O)C1 C24450 [0,0,0,1,0,0|2,0,1]=4 208 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,0,0,1,0,0|2,0,1]=4 209 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,0,0,1,0,0|2,0,1]=4 210 B7R1.3 BrC1CCCCC1 B69054 [0,0,0,1,0,0|2,0,1]=4 211 B7R1.3 C=C1CCNCC1 M19855 [0,0,0,1,0,0|3,0,0]=4 212 B7R1.3 C=C1CCOCC1 M23324 [0,0,0,1,0,0|3,0,0]=4 213 B7R1.3 CC1=CCCNC1 M12102 [0,0,0,1,0,0|3,0,0]=4 214 B7R1.3 CC1=CCNCC1 M26826 [0,0,0,1,0,0|3,0,0]=4 215 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,0,1,0,0|2,0,1]=4 220 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,0,1,0,0|2,0,1]=4 221 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,0,1,0,0|2,0,1]=4 222 B7R1.3 NC1=NCCCN1 A40341 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.3 NC1CCCCC1 C39283 [0,0,0,1,0,0|2,0,1]=4 224 B7R1.3 O=C1C=CCCN1 D67780 [0,0,0,1,0,0|1,0,2]=4 225 B7R1.3 O=C1C=CCOC1 P26982 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.3 O=C1CCCCN1 P69632 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.3 O=C1CCCNC1 P1523 [0,0,0,1,0,0|2,0,0]=3 228 B7R1.3 O=C1CCCNC1 P31811 [0,0,0,1,0,0|2,0,0]=3 229 B7R1.3 O=C1CCCOC1 T7026 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.3 O=C1CCCSC1 T1776 [0,0,0,1,0,0|2,0,0]=3 231 B7R1.3 O=C1CCNCC1 P23503 [0,0,0,1,0,0|2,0,0]=3 232 B7R1.3 O=C1CCOCC1 T4632 [0,0,0,1,0,0|2,0,0]=3 233 B7R1.3 O=C1CCSCC1 T6200 [0,0,0,1,0,0|2,0,0]=3 234 B7R1.3 O=C1CNCCN1 P10419 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.3 O=C1COCCN1 M7700 [0,0,0,1,0,0|2,0,0]=3 236 B7R1.3 O=C1COCCO1 D38663 [0,0,0,1,0,0|1,0,0]=2 237 B7R1.3 O=C1CSCCN1 T40230 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.3 O=S1CCNCC1 T5787 [0,0,0,1,0,0|3,0,0]=4 239 B7R1.3 OC1CCNCC1 P24137 [0,0,0,1,0,0|2,0,1]=4 240 B7R1.3 OC1CCNCC1 P41321 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.3 OC1CCOCC1 H0389 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.3 OC1CCSCC1 H31816 [0,0,0,1,0,0|2,0,1]=4 243 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,0,1,0,0|2,0,1]=4 245 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,0,1,0,0|2,0,1]=4 246 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,0,1,0,0|1,0,2]=4 247 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,0,1,0,0|2,0,1]=4 248 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,0,1,0,0|2,0,1]=4 250 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,0,1,0,0|2,0,1]=4 251 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,0,1,0,0|2,0,1]=4 252 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,0,1,0,0|2,0,1]=4 253 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,0,1,0,0|2,0,1]=4 254 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.10 CCN1CC(O)C1 A0524 [0,0,0,1,0,0|2,0,1]=4 256 B7R1.10 CNC1CC(O)C1 M10596 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,0,0,1,0,0|2,0,1]=4 259 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,0,0,1,0,0|2,0,1]=4 260 B7R1.10 N#CC1CC(=O)C1 X10543 [0,0,0,1,0,0|2,0,1]=4 261 B7R1.10 NCC1CC(=O)C1 SB7355 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.10 NCC1CC(O)C1 A12368 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.10 NCC1CC(O)C1 A7528 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,0,0,1,0,0|2,0,1]=4 267 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.10 O=C1CC(CBr)C1 B11904 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.10 O=C1CC(CO)C1 H0725 [0,0,0,1,0,0|2,0,0]=3 270 B7R1.10 OCC1CC(O)C1 H40382 [0,0,0,1,0,0|2,0,1]=4 271 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,1,0,0|0,0,0]=1 272 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,1,0,0|0,0,0]=1 273 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,1,0,0|0,0,0]=1 274 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,1,0,0|0,0,0]=1 275 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,1,0,0|1,0,0]=2 277 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,1,0,0|1,0,0]=2 278 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,1,0,0|1,0,0]=2 279 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,1,0,0|1,0,0]=2 280 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.14 CC1(O)CCCC1 M41551 [0,0,0,1,0,0|1,0,1]=3 282 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,0,0,1,0,0|2,0,1]=4 283 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,0,0,1,0,0|2,0,1]=4 284 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,0,0,1,0,0|2,0,1]=4 286 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.14 O=S1(=O)CCCN1 P12719 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.14 O=S1(=O)CCCO1 X68360 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,0,1,0,0|1,0,0]=2 290 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,0,1,0,0|2,0,0]=3 291 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,0,1,0,0|2,0,0]=3 293 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,0,1,0,0|1,0,0]=2 294 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,0,1,0,0|0,0,0]=1 297 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,0,1,0,0|1,0,0]=2 298 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,0,1,0,0|1,0,0]=2 299 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,0,1,0,0|1,0,0]=2 300 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,0,1,0,0|1,0,0]=2 302 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,0,1,0,0|1,0,0]=2 303 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,0,1,0,0|1,0,0]=2 304 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,0,1,0,0|1,0,0]=2 305 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,0,1,0,0|1,0,0]=2 306 B7R1.18 OB(O)C1CCC1 C38656 [0,0,0,1,0,0|1,0,1]=3 307 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,0,1,0,0|0,0,0]=1 308 B4R0.1 CC(=O)CN A38843 [2,0,0,0,0,0|2,0,0]=4 309 B4R0.1 CC(=O)CO H60801 [2,0,0,0,0,0|2,0,0]=4 310 B4R0.1 CCB(O)O E3108 [2,0,0,0,0,0|1,0,1]=4 311 B4R0.1 CCC(=N)N P39882 [2,0,0,0,0,0|2,0,0]=4 312 B4R0.1 CCC(=N)N P39927 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.1 CCC(N)=O P68920 [2,0,0,0,0,0|1,0,0]=3 314 B4R0.1 CC[S@](=O)[O-] S39781 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 NC(=O)CBr B39771 [2,0,0,0,0,0|2,0,0]=4 316 B4R0.1 NC(=O)CI K60849 [2,0,0,0,0,0|2,0,0]=4 317 B4R0.1 NC(=O)CO H68919 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.1 NCC(N)=O G69255 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.2 BrCCCBr D69412 [2,0,0,0,0,0|2,0,0]=4 320 B4R0.2 C#CCCO B26554 [2,0,0,0,0,0|0,0,2]=4 321 B4R0.2 C=CCCN B21913 [2,0,0,0,0,0|1,0,1]=4 322 B4R0.2 C=CCCO B40252 [2,0,0,0,0,0|0,0,2]=4 323 B4R0.2 CC#CCO H64582 [2,0,0,0,0,0|0,0,2]=4 324 B4R0.2 CCCNN P39906 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.2 CNCCBr B38473 [2,0,0,0,0,0|2,0,0]=4 326 B4R0.2 CNCCCl C39886 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.2 COCCBr B39138 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.2 COCCI K39881 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.2 CSCCN M62136 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.2 ClCCCI C1367 [2,0,0,0,0,0|2,0,0]=4 331 B4R0.2 ICCCI D39865 [2,0,0,0,0,0|2,0,0]=4 332 B4R0.2 N#CCCO H67414 [2,0,0,0,0,0|1,0,1]=4 333 B4R0.2 NCCCCl C37835 [2,0,0,0,0,0|2,0,0]=4 334 B4R0.2 NCCCO A69322 [2,0,0,0,0,0|1,0,0]=3 335 B4R0.2 NOCCO A39786 [2,0,0,0,0,0|2,0,0]=4 336 B4R0.2 OCCCBr B39137 [2,0,0,0,0,0|1,0,0]=3 337 B4R0.2 OCCCO P69117 [2,0,0,0,0,0|1,0,0]=3 338 B6R0.1 C#CCC(=O)OC M41116 [1,1,0,0,0,0|0,0,2]=4 339 B6R0.1 CC#CC(=O)OC M62298 [1,1,0,0,0,0|0,0,2]=4 340 B6R0.1 CCC[C@H](N)CO A40443 [1,1,0,0,0,0|1,0,1]=4 341 B6R0.1 CCC[C@H](N)CO A66421 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.1 CCOC(=O)C#N E15572 [1,1,0,0,0,0|2,0,0]=4 343 B6R0.1 CCOC(=O)CN G69291 [1,1,0,0,0,0|2,0,0]=4 344 B6R0.1 CCOC(=O)CO E37817 [1,1,0,0,0,0|1,0,0]=3 345 B6R0.1 CCOC(=O)NN E39139 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.1 CCOC(=O)OC E40254 [1,1,0,0,0,0|1,0,0]=3 347 B6R0.1 CCO\C(C)=N\O E68624 [1,1,0,0,0,0|2,0,0]=4 348 B6R0.1 CNC(=O)CCN A40306 [1,1,0,0,0,0|2,0,0]=4 349 B6R0.1 COC(=O)CC#N M68915 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.1 COC(=O)CCBr M39155 [1,1,0,0,0,0|1,0,0]=3 351 B6R0.1 COC(=O)CCN M67902 [1,1,0,0,0,0|1,0,0]=3 352 B6R0.1 COC(=O)CCO M24551 [1,1,0,0,0,0|1,0,0]=3 353 B6R0.1 COC(=O)OCCl C62332 [1,1,0,0,0,0|2,0,0]=4 354 B6R0.1 COCC(=O)NN M39884 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.2 CC(=O)NC(C)C P40402 [1,1,0,0,0,0|2,0,0]=4 356 B6R0.2 CC(=O)O[C@H](C)Br B40231 [1,1,0,0,0,0|2,0,0]=4 357 B6R0.2 CC(C)CB(O)O M4460 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.2 CN(C)CC(=O)Cl D40251 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.2 C[C@@H](N)CC(=O)O A37837 [1,1,0,0,0,0|0,0,0]=2 360 B6R0.2 C[C@@H](N)CC(=O)O A40348 [1,1,0,0,0,0|0,0,0]=2 361 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [1,1,0,0,0,0|0,0,1]=3 362 B6R0.2 C[C@@H](O)C[C@@H](C)O P40432 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.2 C[C@H](N)CC(=O)O A40265 [1,1,0,0,0,0|0,0,0]=2 364 B6R0.2 C[C@H](O)CC(=O)O H38871 [1,1,0,0,0,0|0,0,0]=2 365 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [1,1,0,0,0,0|0,0,1]=3 366 B6R0.2 C[C@H](O)C[C@H](C)O P40433 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.3 C=C(CBr)C(=O)O B40169 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.3 C=C[C@H](C)C(=O)O M60559 [1,1,0,0,0,0|0,0,2]=4 369 B6R0.3 C=C[C@H](N)C(=O)O A40334 [1,1,0,0,0,0|0,0,2]=4 370 B6R0.3 CCC(=O)C(=O)[O-] S40297 [1,1,0,0,0,0|0,0,2]=4 371 B6R0.3 CCN(C)C(=O)Cl E40250 [1,1,0,0,0,0|2,0,0]=4 372 B6R0.3 CCN(C)C(C)=O E40404 [1,1,0,0,0,0|2,0,0]=4 373 B6R0.3 CC[C@@H](C)C(=O)O M40381 [1,1,0,0,0,0|0,0,0]=2 374 B6R0.3 CC[C@@H](N)C(N)=O A40305 [1,1,0,0,0,0|1,0,0]=3 375 B6R0.3 CC[C@H](C)B(O)O B39967 [1,1,0,0,0,0|1,0,1]=4 376 B6R0.3 CC[C@H](N)C(=O)O A40349 [1,1,0,0,0,0|0,0,0]=2 377 B6R0.3 CC[C@H](N)C(=O)O A68376 [1,1,0,0,0,0|0,0,0]=2 378 B6R0.3 CC[C@H](N)C(N)=O A64477 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.3 CC[C@H](O)C(=O)O H23105 [1,1,0,0,0,0|0,0,0]=2 380 B6R0.3 CN[C@@H](C)C(=O)O M68914 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.3 CN[C@H](C)C(=O)O M63076 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.3 CO[C@@H](C)C(=O)O M11053 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.3 CO[C@@H](C)C(=O)O M69861 [1,1,0,0,0,0|1,0,0]=3 384 B6R0.3 CO[C@H](C)C(=O)O M8894 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.3 C[C@H](CN)C(=O)O A40352 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.3 NC(=O)[C@H](N)CO A39930 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.3 NC[C@@H](O)C(=O)O A39878 [1,1,0,0,0,0|1,0,0]=3 388 B6R0.3 NC[C@H](N)C(=O)O D39929 [1,1,0,0,0,0|1,0,0]=3 389 B6R0.3 NC[C@H](O)C(=O)O S39877 [1,1,0,0,0,0|1,0,0]=3 390 B6R0.3 N[C@@H](CS)C(=O)O A39926 [1,1,0,0,0,0|1,0,0]=3 391 B6R0.3 N[C@H](CCl)C(=O)O A39869 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.3 N[C@H](CCl)C(=O)O A63558 [1,1,0,0,0,0|1,0,0]=3 393 B6R0.3 N[C@H](CS)C(=O)O A37860 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.3 N[C@H](CS)C(=O)O C67456 [1,1,0,0,0,0|1,0,0]=3 395 B6R0.3 N[C@H](CS)C(=O)O C69203 [1,1,0,0,0,0|1,0,0]=3 396 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [1,1,0,0,0,0|1,0,0]=3 397 B6R0.3 O=C(O)[C@@H](O)CO D38851 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.5 CCCS(N)(=O)=O P39891 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.5 O=P(O)(O)CCBr B39783 [1,1,0,0,0,0|2,0,0]=4 400 B6R0.5 O=S(=O)(O)CCO H69249 [1,1,0,0,0,0|2,0,0]=4 401 B6R0.6 C#CCCCCI K43321 [1,1,0,0,0,0|1,0,1]=4 402 B6R0.6 C#CCCCCO H41456 [1,1,0,0,0,0|0,0,2]=4 403 B6R0.6 C=CCCCCBr B9212 [1,1,0,0,0,0|1,0,0]=3 404 B6R0.6 C=CCCCCO H41549 [1,1,0,0,0,0|1,0,0]=3 405 B6R0.6 C=CCCCC[Mg+] H5025 [1,1,0,0,0,0|1,0,0]=3 406 B6R0.6 CC=CCCCO H41548 [1,1,0,0,0,0|0,0,2]=4 407 B6R0.6 CCCCCC[Mg+] H31703 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.6 CCCCCNC M41618 [1,1,0,0,0,0|1,0,1]=4 409 B6R0.6 CCCCN=[N+]=[N-] A1814 [1,1,0,0,0,0|2,0,0]=4 410 B6R0.6 CCC\C=C\CO H41550 [1,1,0,0,0,0|0,0,1]=3 411 B6R0.6 CCOCCC#N E41255 [1,1,0,0,0,0|1,0,1]=4 412 B6R0.6 CNCCCCBr B40429 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.6 CNCCCCO M38840 [1,1,0,0,0,0|0,0,1]=3 414 B6R0.6 COCCCCBr B40422 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.6 ClCCCCCBr B39164 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.6 FCCCCCBr B37978 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.6 ICCCCCI D24633 [1,1,0,0,0,0|1,0,1]=4 418 B6R0.6 N#CCCCCBr B41217 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.6 N#CCCCCCl C69554 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.6 N#CCCCCN A6983 [1,1,0,0,0,0|1,0,1]=4 421 B6R0.6 NCCNCCO A68374 [1,1,0,0,0,0|1,0,1]=4 422 B6R0.6 O=CCCCCCl C41277 [1,1,0,0,0,0|0,0,0]=2 423 B6R0.6 O=CCCCCO H32202 [1,1,0,0,0,0|0,0,0]=2 424 B6R0.6 OCCOCCCl C60784 [1,1,0,0,0,0|1,0,1]=4 425 B6R0.6 OCCOCCO D43939 [1,1,0,0,0,0|1,0,1]=4 426 B8R0.2 COC(=O)[C@@H](C)C(=O)O M38995 [0,2,0,0,0,0|1,0,1]=4 427 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O A61564 [0,2,0,0,0,0|1,0,0]=3 428 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O A68038 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.5 C=CC[C@@H](N)CC(=O)O A43439 [0,2,0,0,0,0|0,0,1]=3 430 B8R0.5 CCC[C@H](N)CC(=O)O A43488 [0,2,0,0,0,0|0,0,0]=2 431 B8R0.5 CCC\C(C)=C\C(=O)O M62391 [0,2,0,0,0,0|0,0,1]=3 432 B8R0.5 CCOC(=O)CC(=O)[O-] P39163 [0,2,0,0,0,0|0,0,2]=4 433 B8R0.5 CCOC(=O)CC(N)=O E38643 [0,2,0,0,0,0|1,0,1]=4 434 B8R0.16 CCN(CC)CC(=O)[O-] S60805 [0,2,0,0,0,0|1,0,1]=4 435 B8R0.16 COC(CC(C)=O)OC D39203 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.19 CCC(=O)CC(=O)CC H43801 [0,2,0,0,0,0|1,0,1]=4 437 B8R0.19 CCC(=O)CC(=O)OC M39036 [0,2,0,0,0,0|0,0,1]=3 438 B8R0.19 CC[C@H](N)CC(=O)OC M43495 [0,2,0,0,0,0|0,0,0]=2 439 B8R0.19 COC(=O)CC(=O)CCl M61620 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.19 COC(=O)CC(=O)OC D60836 [0,2,0,0,0,0|1,0,1]=4 441 B8R0.19 COC(=O)C[C@@H](O)CCl M41276 [0,2,0,0,0,0|1,0,0]=3 442 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,2,0,0,0,0|0,0,1]=3 443 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,2,0,0,0,0|1,0,1]=4 444 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,2,0,0,0,0|1,0,1]=4 445 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,2,0,0,0,0|1,0,1]=4 446 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,2,0,0,0,0|0,0,0]=2 447 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,2,0,0,0,0|0,0,0]=2 448 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,2,0,0,0,0|0,0,0]=2 449 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,2,0,0,0,0|0,0,0]=2 450 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,2,0,0,0,0|0,0,0]=2 451 B8R0.23 CC(C)[C@@H](N)CC(=O)O A67729 [0,2,0,0,0,0|0,0,0]=2 452 B8R0.23 CC(C)[C@H](N)CC(=O)O A38977 [0,2,0,0,0,0|0,0,0]=2 453 B8R0.23 CC(C)[C@H](N)CC(=O)O A43501 [0,2,0,0,0,0|0,0,0]=2 454 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,2,0,0,0,0|1,0,1]=4 455 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O A41340 [0,2,0,0,0,0|0,0,0]=2 456 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,2,0,0,0,0|1,0,1]=4 457 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.34 CC(C)(CN)CC(=O)O A60787 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.34 CC(C)(CN)CC(=O)O A67050 [0,2,0,0,0,0|1,0,0]=3 461 B8R0.1 C#CCCC(=O)CCO H6251 [0,2,0,0,0,0|0,0,2]=4 462 B8R0.1 CCCC[C@H](N)CCO A62132 [0,2,0,0,0,0|1,0,1]=4 463 B8R0.1 CCOC(=O)CCC#N E63052 [0,2,0,0,0,0|1,0,1]=4 464 B8R0.1 CCOC(=O)CCCBr B69333 [0,2,0,0,0,0|1,0,0]=3 465 B8R0.1 CCOC(=O)CCCI E31893 [0,2,0,0,0,0|1,0,0]=3 466 B8R0.1 CCOC(=O)CCCN E43487 [0,2,0,0,0,0|1,0,0]=3 467 B8R0.1 CCOC(=O)CCNC E41584 [0,2,0,0,0,0|1,0,0]=3 468 B8R0.1 CCOC(=O)CCSC E39202 [0,2,0,0,0,0|1,0,0]=3 469 B8R0.1 CCOCC(=O)OCC E41554 [0,2,0,0,0,0|1,0,0]=3 470 B8R0.3 C=CC[C@H](N)C(=O)OC M37082 [0,2,0,0,0,0|0,0,2]=4 471 B8R0.3 CCC[C@@H](N)C(=O)OC M66692 [0,2,0,0,0,0|0,0,0]=2 472 B8R0.3 CCC[C@H](N)C(=O)OC M43489 [0,2,0,0,0,0|0,0,0]=2 473 B8R0.3 CCN[C@@H](C)C(=O)OC M32327 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.3 COC[C@@H](N)C(=O)OC M38225 [0,2,0,0,0,0|1,0,0]=3 475 B8R0.6 CCCC=CC(=O)OC M43802 [0,2,0,0,0,0|0,0,1]=3 476 B8R0.6 CCCCCC(=O)CBr B43868 [0,2,0,0,0,0|1,0,0]=3 477 B8R0.6 CCCCC[C@@H](O)CC X47206 [0,2,0,0,0,0|1,0,1]=4 478 B8R0.6 CCCCNC(=O)CCl B41547 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.6 CNCCCC(=O)OC M43486 [0,2,0,0,0,0|0,0,0]=2 480 B8R0.6 COC(=O)CCCCBr M41523 [0,2,0,0,0,0|0,0,0]=2 481 B8R0.6 COC(=O)CCCCCl M63406 [0,2,0,0,0,0|0,0,0]=2 482 B8R0.6 COC(=O)CCCCN M43490 [0,2,0,0,0,0|0,0,0]=2 483 B8R0.6 COC(=O)COCCCl M41275 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.6 COCCCC(=O)OC M68350 [0,2,0,0,0,0|0,0,0]=2 485 B8R0.6 NCCCC[C@H](N)CO D43570 [0,2,0,0,0,0|1,0,1]=4 486 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,2,0,0,0,0|0,0,1]=3 487 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,2,0,0,0,0|0,0,1]=3 488 B8R0.8 CCCCC(=O)[C@H](C)N A46508 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,2,0,0,0,0|0,0,0]=2 490 B8R0.8 CSCCC(O)C(=O)[O-] C54080 [0,2,0,0,0,0|0,0,1]=3 491 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,2,0,0,0,0|0,0,0]=2 492 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,2,0,0,0,0|1,0,1]=4 493 B8R0.9 COC(=O)CCC(=O)O M37827 [0,2,0,0,0,0|0,0,1]=3 494 B8R0.9 COC(=O)NCC(=O)O M40229 [0,2,0,0,0,0|1,0,1]=4 495 B8R0.11 CCCC[C@H](CC)CO E60781 [0,2,0,0,0,0|1,0,1]=4 496 B8R0.7 C#CCCCCC(=O)O H43713 [0,2,0,0,0,0|0,0,0]=2 497 B8R0.7 C#CCOCCC(=O)O P43310 [0,2,0,0,0,0|0,0,1]=3 498 B8R0.7 C=CCCCCC(=O)O H63383 [0,2,0,0,0,0|0,0,0]=2 499 B8R0.7 CCCCCCB(O)O H41623 [0,2,0,0,0,0|1,0,1]=4 500 B8R0.7 CCCCCC[C@@H](C)O X47207 [0,2,0,0,0,0|1,0,1]=4 501 B8R0.7 COCCOCC(=O)O M37948 [0,2,0,0,0,0|0,0,0]=2 502 B8R0.7 N=C(N)NCCCCN A37883 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.7 N=C(N)NCCCCN A41393 [0,2,0,0,0,0|2,0,0]=4 504 B8R0.7 NCCNCCC(=O)[O-] S41302 [0,2,0,0,0,0|0,0,1]=3 505 B8R0.7 NCCOCCC(=O)O A40415 [0,2,0,0,0,0|0,0,0]=2 506 B8R0.7 O=C(O)CCCCCBr B67880 [0,2,0,0,0,0|0,0,0]=2 507 B8R0.7 O=C(O)CCCCCCl C41527 [0,2,0,0,0,0|0,0,0]=2 508 B8R0.7 O=C(O)CCOCCBr B41274 [0,2,0,0,0,0|0,0,0]=2 509 B8R0.7 O=C([O-])CCCCCO P41406 [0,2,0,0,0,0|0,0,1]=3 510 B8R0.7 [N-]=[N+]=NCCCC(=O)O A1941 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.21 CCCCCS(=O)(=O)[O-] S40421 [0,2,0,0,0,0|1,0,1]=4 512 B8R0.21 CCCCCS(N)(=O)=O P29872 [0,2,0,0,0,0|1,0,1]=4 513 B8R0.21 CCCCOS(C)(=O)=O B69150 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.21 NCCCCP(=O)(O)O A69195 [0,2,0,0,0,0|1,0,0]=3 515 B8R0.21 O=S(=O)(Cl)CCCCCl C40253 [0,2,0,0,0,0|1,0,1]=4 516 B8R0.21 O=S(=O)(O)CCCCO H39961 [0,2,0,0,0,0|1,0,0]=3 517 B8R0.28 CC(=O)CCC=C(C)C M68353 [0,2,0,0,0,0|1,0,1]=4 518 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,2,0,0,0,0|0,0,0]=2 519 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,2,0,0,0,0|0,0,1]=3 520 B8R0.28 CN(C)CCCC(=O)O D43497 [0,2,0,0,0,0|0,0,0]=2 521 B8R0.28 CN(C)C\C=C\C(=O)O D25643 [0,2,0,0,0,0|0,0,2]=4 522 B8R0.12 C=CCC(C)(C)C(=O)O D38170 [0,2,0,0,0,0|0,0,2]=4 523 B8R0.12 C=CCC(F)(F)C(=O)O D68045 [0,2,0,0,0,0|0,0,2]=4 524 B8R0.29 CC(C)(C)NCC(=O)O B43496 [0,2,0,0,0,0|1,0,0]=3 525 B8R0.29 CC(C)(C)OCC(=O)O B41556 [0,2,0,0,0,0|1,0,0]=3 526 B8R0.29 CS(=O)(=O)CCC(=O)O M40261 [0,2,0,0,0,0|1,0,0]=3 527 B8R0.29 NS(=O)(=O)CCC(=O)O A9689 [0,2,0,0,0,0|2,0,0]=4 528 B8R0.29 O=C(O)CCC(F)(F)F T23562 [0,2,0,0,0,0|1,0,0]=3 529 B6R1.2 CC1=NCCC1 M41239 [1,0,0,1,0,0|2,0,0]=4 530 B6R1.2 NC1=NCCC1 D38561 [1,0,0,1,0,0|2,0,0]=4 531 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,1,0,0|1,0,1]=4 532 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,1,0,0|0,0,2]=4 533 B6R1.2 O=C1CCNC1 P0198 [1,0,0,1,0,0|2,0,0]=4 534 B6R1.2 O=C1CCNN1 P39917 [1,0,0,1,0,0|2,0,0]=4 535 B6R1.2 O=C1CCOC1 X0391 [1,0,0,1,0,0|2,0,0]=4 536 B6R1.2 O=C1CCSC1 D10906 [1,0,0,1,0,0|2,0,0]=4 537 B6R1.2 O=C1NCCN1 K62398 [1,0,0,1,0,0|2,0,0]=4 538 B6R1.2 O=C1NCCS1 T39859 [1,0,0,1,0,0|1,1,0]=4 539 B6R1.5 CC1CC(=O)C1 M17286 [1,0,0,1,0,0|1,0,0]=3 540 B6R1.5 NC1CC(=O)C1 A0660 [1,0,0,1,0,0|2,0,0]=4 541 B6R1.5 O=C1CC(Br)C1 B8012 [1,0,0,1,0,0|2,0,0]=4 542 B6R1.5 O=C1CC(F)C1 F13109 [1,0,0,1,0,0|2,0,0]=4 543 B6R1.5 O=C1CC(O)C1 H10121 [1,0,0,1,0,0|2,0,0]=4 544 B6R1.10 O=S1(=O)CCC1 T5974 [1,0,0,1,0,0|1,0,1]=4 545 B6R1.11 N=C(N)C1CC1 C1448 [1,0,0,1,0,0|2,0,0]=4 546 B6R1.11 O=C(O)C1CC1 C69104 [1,0,0,1,0,0|0,0,0]=2 547 B6R1.11 OB(O)C1CC1 C2414 [1,0,0,1,0,0|1,0,1]=4 548 B6R1.1 C1=CCNCC1 T0540 [1,0,0,1,0,0|2,0,0]=4 549 B6R1.1 C1=CCOCC1 D10810 [1,0,0,1,0,0|2,0,0]=4 550 B6R1.1 C1CCNCC1 P67647 [1,0,0,1,0,0|1,0,1]=4 551 B6R1.1 C1CCNNC1 H8288 [1,0,0,1,0,0|2,0,0]=4 552 B6R1.1 C1CCONC1 X13780 [1,0,0,1,0,0|1,0,0]=3 553 B6R1.1 C1CCONC1 X40342 [1,0,0,1,0,0|1,0,0]=3 554 B6R1.1 C1CNCOC1 X40263 [1,0,0,1,0,0|1,0,1]=4 555 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [1,0,0,1,0,0|1,0,1]=4 556 B6R1.4 C[C@@H]1OCC1=O M61882 [1,0,0,1,0,0|1,0,0]=3 557 B6R1.4 C[C@H]1COC1=O M6342 [1,0,0,1,0,0|1,0,0]=3 558 B6R1.4 N[C@@H]1CNC1=O A60450 [1,0,0,1,0,0|2,0,0]=4 559 B6R1.4 N[C@H]1CNC1=O A39918 [1,0,0,1,0,0|2,0,0]=4 560 B6R1.6 BrC[C@H]1CCO1 B0614 [1,0,0,1,0,0|1,0,1]=4 561 B6R1.6 ICC1CCC1 I29708 [1,0,0,1,0,0|1,0,1]=4 562 B6R1.6 IC[C@H]1CCO1 I6940 [1,0,0,1,0,0|1,0,1]=4 563 B6R1.6 N#CC1CCC1 C5653 [1,0,0,1,0,0|1,0,1]=4 564 B6R1.6 NCC1CCC1 C0310 [1,0,0,1,0,0|1,0,1]=4 565 B6R1.6 NCC1CCC1 C1144 [1,0,0,1,0,0|1,0,1]=4 566 B6R1.6 NC[C@H]1CCO1 X6187 [1,0,0,1,0,0|1,0,1]=4 567 B6R1.6 NNC1CCC1 C37776 [1,0,0,1,0,0|2,0,0]=4 568 B6R1.6 OCC1CCC1 C67424 [1,0,0,1,0,0|0,0,1]=3 569 B6R1.6 OCC1CNC1 A5874 [1,0,0,1,0,0|1,0,1]=4 570 B6R1.6 OCC1CNC1 H12177 [1,0,0,1,0,0|1,0,1]=4 571 B6R1.6 OCC1COC1 X6263 [1,0,0,1,0,0|1,0,1]=4 572 B6R1.6 OCC1CSC1 T20107 [1,0,0,1,0,0|1,0,1]=4 573 B6R1.6 OC[C@@H]1CCN1 A11256 [1,0,0,1,0,0|1,0,1]=4 574 B6R1.6 OC[C@H]1CCN1 A11255 [1,0,0,1,0,0|1,0,1]=4 575 B6R1.6 OC[C@H]1CCN1 A11257 [1,0,0,1,0,0|1,0,1]=4 576 B6R1.6 OC[C@H]1CCO1 X6188 [1,0,0,1,0,0|1,0,1]=4 577 B6R1.6 [Mg+]CC1CCC1 C5036 [1,0,0,1,0,0|1,0,1]=4 578 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,1,0,1,0,0|0,0,2]=4 579 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,1,0,1,0,0|0,0,2]=4 580 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,1,0,1,0,0|1,0,1]=4 581 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,1,0,0|1,0,1]=4 582 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,1,0,0|1,0,0]=3 583 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,1,0,0|1,0,0]=3 595 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,1,0,0|0,0,0]=2 596 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,1,0,0|1,0,0]=3 597 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,1,0,0|0,0,0]=2 598 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,1,0,0|1,0,0]=3 599 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,1,0,0|0,0,0]=2 600 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,1,0,0|1,0,0]=3 601 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,1,0,0|0,0,0]=2 603 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,1,0,0|1,0,0]=3 607 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.4 CC1CC(N)CCO1 M26284 [0,1,0,1,0,0|1,0,1]=4 610 B8R1.4 CC1CC(O)CCN1 M11589 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.4 CC1CC(O)CCO1 M14345 [0,1,0,1,0,0|1,0,1]=4 612 B8R1.4 CN1CCCC(=O)C1 M13651 [0,1,0,1,0,0|1,0,0]=3 613 B8R1.4 CN1CCC[C@@H](O)C1 H1521 [0,1,0,1,0,0|1,0,1]=4 614 B8R1.4 CN1CCC[C@H](O)C1 H0286 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.4 CN1CCC[C@H](O)C1 H1522 [0,1,0,1,0,0|1,0,1]=4 616 B8R1.4 CN1CCNC(=O)C1 M6975 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.4 CN1CCOC(=O)C1 M41260 [0,1,0,1,0,0|1,0,0]=3 618 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,1,0,1,0,0|1,0,0]=3 624 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,1,0,1,0,0|1,0,0]=3 625 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,1,0,1,0,0|1,0,0]=3 631 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,1,0,1,0,0|1,0,1]=4 632 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,1,0,1,0,0|1,0,1]=4 634 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,1,0,1,0,0|1,0,1]=4 635 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,1,0,1,0,0|1,0,1]=4 636 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,1,0,1,0,0|1,0,1]=4 637 B8R1.4 NC1CCCC(O)C1 A24893 [0,1,0,1,0,0|1,0,1]=4 638 B8R1.4 NC1CCCC(O)C1 A43477 [0,1,0,1,0,0|1,0,1]=4 639 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 A17953 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A24958 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.4 N[C@@H]1CCC[C@H](O)C1 A32382 [0,1,0,1,0,0|1,0,1]=4 642 B8R1.4 N[C@H]1CCC[C@@H](O)C1 A31661 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,1,0,1,0,0|1,0,1]=4 646 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,1,0,1,0,0|1,0,1]=4 647 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,1,0,1,0,0|1,0,1]=4 648 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,1,0,1,0,0|1,0,0]=3 650 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,1,0,0|1,0,1]=4 651 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,1,0,0|1,0,1]=4 652 B8R1.31 CC1NCC1C(=O)O M27890 [0,1,0,1,0,0|0,0,0]=2 653 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,1,0,1,0,0|0,0,0]=2 654 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,1,0,1,0,0|0,0,0]=2 655 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,1,0,1,0,0|0,0,0]=2 656 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,1,0,1,0,0|0,0,0]=2 657 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,1,0,1,0,0|0,0,0]=2 658 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,1,0,1,0,0|0,0,0]=2 659 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,1,0,1,0,0|0,0,0]=2 660 B8R1.31 O=C(O)C1CCC1F F59749 [0,1,0,1,0,0|0,0,0]=2 661 B8R1.31 O=C(O)[C@@H]1CNC1=O X11510 [0,1,0,1,0,0|1,0,1]=4 662 B8R1.34 CC(=O)NC1CNC1 A1331 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.34 CC(=O)OC1CNC1 A41259 [0,1,0,1,0,0|2,0,0]=4 664 B8R1.34 CC(=O)OC1CNC1 A43595 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.34 CC(=O)SC1CNC1 T12525 [0,1,0,1,0,0|2,0,0]=4 666 B8R1.34 O=C(O)C=C1CCC1 C10691 [0,1,0,1,0,0|0,0,1]=3 667 B8R1.34 O=C(O)CC1CCC1 C24745 [0,1,0,1,0,0|0,0,0]=2 668 B8R1.34 O=C(O)CC1CNC1 A10213 [0,1,0,1,0,0|0,0,0]=2 669 B8R1.34 O=C(O)CC1COC1 X6649 [0,1,0,1,0,0|0,0,0]=2 670 B8R1.34 O=[N+]([O-])CC1COC1 N6280 [0,1,0,1,0,0|1,0,1]=4 671 B8R1.40 COC(=O)CC1CC1 M11217 [0,1,0,1,0,0|0,0,0]=2 672 B8R1.40 O=C(CCl)NC1CC1 C41221 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.43 N#CC1CC1C(=O)O C24298 [0,1,0,1,0,0|0,0,1]=3 674 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O C23494 [0,1,0,1,0,0|0,0,1]=3 675 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O C25179 [0,1,0,1,0,0|0,0,1]=3 676 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,1,0,1,0,0|2,0,0]=4 677 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,1,0,0|0,0,0]=2 679 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,1,0,1,0,0|1,0,1]=4 682 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 A64489 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A12453 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A24037 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A64487 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.62 CC1(CO)CC(=O)C1 H20258 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.2 BrCC1=CCCCC1 B10308 [0,1,0,1,0,0|2,0,0]=4 688 B8R1.2 COC1=CCOCC1 M5825 [0,1,0,1,0,0|2,0,0]=4 689 B8R1.2 N#CC1=CCCCO1 D43135 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,1,0,1,0,0|0,0,2]=4 691 B8R1.2 O=CC1=CCCOC1 D43308 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.2 O=CC1=COCCC1 D43307 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.2 O=CN1CCCCC1 P68910 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,1,0,1,0,0|1,0,1]=4 695 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,1,0,1,0,0|0,0,2]=4 696 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,1,0,1,0,0|1,0,1]=4 697 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,1,0,1,0,0|1,0,1]=4 698 B8R1.2 ON=C1CCOCC1 T0658 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.2 ON=C1CCSCC1 T6161 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.2 ONC1CCCCC1 C43480 [0,1,0,1,0,0|1,0,1]=4 701 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.3 CC1CCC(=O)CC1 M39288 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.3 CC1CCC(O)CC1 M61965 [0,1,0,1,0,0|1,0,1]=4 704 B8R1.3 CN1CCC(=O)CC1 M28326 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,1,0,1,0,0|1,0,1]=4 706 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.3 NC1CCC(=O)CC1 A38581 [0,1,0,1,0,0|1,0,0]=3 710 B8R1.3 NC1CCC(O)CC1 A43478 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,1,0,1,0,0|1,0,0]=3 712 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A23551 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.3 N[C@H]1CC[C@@H](O)CC1 A29883 [0,1,0,1,0,0|1,0,1]=4 714 B8R1.3 N[C@H]1CC[C@H](O)CC1 A4686 [0,1,0,1,0,0|1,0,1]=4 715 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,1,0,1,0,0|1,0,1]=4 716 B8R1.3 O=C1CCC(O)CC1 H18838 [0,1,0,1,0,0|1,0,0]=3 717 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,1,0,1,0,0|1,0,0]=3 718 B8R1.3 O=C1COC(=O)CO1 D40112 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.3 O[C@H]1CC[C@@H](O)CC1 C11596 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.3 O[C@H]1CC[C@H](O)CC1 C24967 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.5 CN1CCNCC1=O M12652 [0,1,0,1,0,0|2,0,0]=4 722 B8R1.5 CN1CCNCC1=O M4395 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.5 C[C@H]1COCCC1=O M11408 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.5 NN1CCCCC1=O A41312 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.5 N[C@@H]1CCCC[C@H]1O A41577 [0,1,0,1,0,0|1,0,1]=4 731 B8R1.5 N[C@@H]1CCCC[C@H]1O A43481 [0,1,0,1,0,0|1,0,1]=4 732 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,1,0,1,0,0|1,0,0]=3 734 B8R1.5 N[C@H]1CCCC[C@@H]1O A43482 [0,1,0,1,0,0|1,0,1]=4 735 B8R1.5 N[C@H]1CCCC[C@@H]1O A64879 [0,1,0,1,0,0|1,0,1]=4 736 B8R1.5 N[C@H]1CCCC[C@H]1O A38152 [0,1,0,1,0,0|1,0,1]=4 737 B8R1.5 N[C@H]1CCCC[C@H]1O A43479 [0,1,0,1,0,0|1,0,1]=4 738 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.5 O=C1CCCC=C1Br B3408 [0,1,0,1,0,0|1,0,1]=4 742 B8R1.5 O=C1CCCCC1=O C67839 [0,1,0,1,0,0|0,0,1]=3 743 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,1,0,1,0,0|2,0,0]=4 744 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,1,0,1,0,0|2,0,0]=4 745 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.5 OC1CCCCC1Cl C41533 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.5 O[C@H]1CCCC[C@H]1O C61980 [0,1,0,1,0,0|0,0,2]=4 751 B8R1.22 O=C1C=CCCCC1 C67890 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.22 O=C1CCCNCC1 H12307 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.22 O=C1CCOCCN1 X16165 [0,1,0,1,0,0|1,0,0]=3 754 B8R1.22 O=C1CCSCCN1 T6235 [0,1,0,1,0,0|1,0,0]=3 755 B8R1.22 O=C1CNCCCN1 D38834 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.22 O[C@H]1CCCNCC1 H12234 [0,1,0,1,0,0|1,0,1]=4 757 B8R1.38 COC(=O)C1CNC1 M5857 [0,1,0,1,0,0|1,0,0]=3 758 B8R1.38 COC(=O)C1COC1 M15764 [0,1,0,1,0,0|1,0,0]=3 759 B8R1.38 COC(=O)[C@@H]1CCN1 M11233 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.38 COC(=O)[C@@H]1CCN1 M11611 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.38 COC(=O)[C@H]1CCN1 M11612 [0,1,0,1,0,0|1,0,0]=3 762 B8R1.38 NNC(=O)C1CCC1 C12362 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,1,0,0|1,0,1]=4 764 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.52 NCC1(O)CCCC1 A1151 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.52 NCC1(O)CCCC1 A43483 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [0,1,0,1,0,0|2,0,0]=4 769 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,1,0,0|1,0,1]=4 770 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,1,0,1,0,0|2,0,0]=4 771 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,1,0,0|1,0,0]=3 775 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [0,1,0,1,0,0|1,0,0]=3 776 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,1,0,0|1,0,0]=3 777 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [0,1,0,1,0,0|1,0,0]=3 778 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [0,1,0,1,0,0|1,0,0]=3 781 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,1,0,0|0,0,1]=3 784 B8R1.7 O=C(O)C1=COCC1 D8190 [0,1,0,1,0,0|0,0,2]=4 785 B8R1.7 O=C(O)C1CC=CC1 C11537 [0,1,0,1,0,0|0,0,1]=3 786 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,1,0,0|0,0,0]=2 787 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [0,1,0,1,0,0|0,0,2]=4 788 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [0,1,0,1,0,0|0,0,2]=4 789 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,1,0,0|0,0,0]=2 790 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,1,0,0|0,0,0]=2 791 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,1,0,0|0,0,0]=2 792 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,1,0,0|0,0,0]=2 793 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,1,0,0|0,0,0]=2 794 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,1,0,0|0,0,0]=2 795 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,1,0,0|0,0,0]=2 796 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,1,0,0|0,0,0]=2 798 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,1,0,0|0,0,0]=2 799 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,1,0,0|0,0,0]=2 800 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,1,0,0|0,0,0]=2 801 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,1,0,0|0,0,0]=2 802 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,1,0,0|0,0,0]=2 803 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,1,0,0|0,0,0]=2 804 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.7 OB(O)C1CCCC1 C2400 [0,1,0,1,0,0|1,0,1]=4 806 B8R1.35 O=C(O)\C=C\C1CC1 C29885 [0,1,0,1,0,0|0,0,1]=3 807 B8R1.72 CC1(O)CCCCC1 M43886 [0,1,0,1,0,0|1,0,1]=4 808 B8R1.72 CC1(O)CCNCC1 H7439 [0,1,0,1,0,0|1,0,1]=4 809 B8R1.72 CC1(O)CCNCC1 M0127 [0,1,0,1,0,0|1,0,1]=4 810 B8R1.72 CC1(O)CCOCC1 M25219 [0,1,0,1,0,0|1,0,1]=4 811 B8R1.72 CC1(O)CCSCC1 M41569 [0,1,0,1,0,0|1,0,1]=4 812 B8R1.72 C[C@]1(O)CCCNC1 M1131 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.72 C[C@]1(O)CCCNC1 M59908 [0,1,0,1,0,0|1,0,1]=4 814 B8R1.72 O=S1(=O)CCCCN1 T40268 [0,1,0,1,0,0|1,0,1]=4 815 B8R1.72 O=S1(=O)CCCCO1 B69155 [0,1,0,1,0,0|1,0,0]=3 816 B8R1.72 O=S1(=O)CCNCC1 T12458 [0,1,0,1,0,0|1,0,1]=4 817 B8R1.72 O=S1(=O)CCNCC1 T7565 [0,1,0,1,0,0|1,0,1]=4 818 B8R1.72 O=S1(=O)CCOCC1 D40257 [0,1,0,1,0,0|1,0,1]=4 819 B8R1.72 OC1(O)CCNCC1 P0354 [0,1,0,1,0,0|0,0,2]=4 820 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,1,0,1,0,0|0,0,1]=3 821 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,1,0,1,0,0|1,0,0]=3 822 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,1,0,1,0,0|2,0,0]=4 823 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,1,0,1,0,0|0,0,0]=2 825 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,1,0,1,0,0|0,0,0]=2 827 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,1,0,1,0,0|0,0,0]=2 828 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,1,0,1,0,0|0,0,0]=2 829 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,1,0,1,0,0|0,0,0]=2 830 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,1,0,1,0,0|0,0,0]=2 831 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,1,0,1,0,0|0,0,0]=2 832 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,1,0,1,0,0|0,0,0]=2 833 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,1,0,1,0,0|0,0,0]=2 834 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,1,0,1,0,0|0,0,0]=2 835 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,1,0,1,0,0|0,0,0]=2 836 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,1,0,1,0,0|0,0,0]=2 837 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,1,0,1,0,0|0,0,0]=2 838 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,1,0,1,0,0|0,0,0]=2 839 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,1,0,1,0,0|0,0,0]=2 840 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,1,0,1,0,0|0,0,0]=2 841 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,1,0,1,0,0|0,0,1]=3 842 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,1,0,1,0,0|1,0,1]=4 843 B8R1.30 C=C1C[C@]1(N)C(=O)O A65491 [0,1,0,1,0,0|0,0,2]=4 844 B8R1.54 N[C@@H](C(=O)O)C1CC1 A11037 [0,1,0,1,0,0|0,0,0]=2 845 B8R1.54 N[C@H](C(=O)O)C1CC1 A67725 [0,1,0,1,0,0|0,0,0]=2 846 B8R1.54 O=C(O)C(=O)C1CC1 C41121 [0,1,0,1,0,0|0,0,1]=3 847 B8R1.78 CC(=O)C1(C)COC1 M7156 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.78 CC1(C(=O)O)CCC1 M11732 [0,1,0,1,0,0|0,0,0]=2 849 B8R1.78 CC1(C(=O)O)CNC1 M29556 [0,1,0,1,0,0|1,0,0]=3 850 B8R1.78 CC1(C(=O)O)COC1 M6214 [0,1,0,1,0,0|1,0,0]=3 851 B8R1.78 NC1(C(=O)O)CCC1 A10609 [0,1,0,1,0,0|0,0,0]=2 852 B8R1.78 NC1(C(=O)O)CCC1 A26979 [0,1,0,1,0,0|0,0,0]=2 853 B8R1.78 NC1(C(=O)O)CNC1 A6058 [0,1,0,1,0,0|1,0,0]=3 854 B8R1.78 NC1(C(=O)O)COC1 A5828 [0,1,0,1,0,0|1,0,0]=3 855 B8R1.78 O=C(O)C1(F)CNC1 F11481 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.78 O=C(O)C1(O)COC1 H60052 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.77 CC1(C)C[C@@H]1C(=O)O D19962 [0,1,0,1,0,0|0,0,0]=2 858 B8R1.77 CC1(C)C[C@@H]1C(=O)O D25255 [0,1,0,1,0,0|0,0,0]=2 859 B8R1.77 CC1(C)C[C@@H]1C(N)=O D68613 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.77 O=C(O)[C@@H]1CC1(F)F D31144 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.77 O=C(O)[C@H]1CC1(F)F D13358 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.56 NS(=O)(=O)CC1CC1 C40269 [0,1,0,1,0,0|1,0,1]=4 863 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,2,0,0|1,0,0]=3 864 B8R2.53 O=C1CC2(CC2)C1 S60485 [0,0,0,2,0,0|1,0,0]=3