0 B5R0.3 BrCC(Br)CBr 001242 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 C#CC(O)CC 164300 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=C(CCl)CCl 386371 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.3 C=C(CO)CO 079496 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.3 C=CC(O)CC 464567 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 C=CC(O)CO 099464 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.3 CC(CBr)CBr 229847 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CC(CCl)CBr 239837 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 CC(CO)CO 242900 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.3 CCC(=O)CBr 002514 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 CCC(=O)CC 094591 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.3 CCC(Br)CC 358240 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 CCC(C)C=O 103622 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 CCC(C)CC 098988 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.3 CCC(C)CN 013636 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 CCC(C)CO 358145 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.3 CCC(C)NN 046283 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 CCC(N)CC 094499 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 CCC(N)CO 091481 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.3 CCC(O)C#N 103338 [0,0,0,0,0,0|2,0,1]=3 20 B5R0.3 CCC(O)CC 358049 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.3 CCC(O)CN 002496 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 CCN(C)CC 493739 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.3 CCN(O)CC 105777 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.3 CCN(O)CC 129600 [0,0,0,0,0,0|3,0,0]=3 25 B5R0.3 CCS(=O)CC 094782 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.3 CC[C@@H](N)CO 012703 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.3 CC[C@H](C)CO 473128 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.3 CC[C@H](N)CO 012704 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.3 CC\C(C)=N\O 099127 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.3 COC(=O)CO 227696 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 ClCC(Cl)CCl 099132 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.3 NC(CO)CO 043594 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.3 NCC(=O)CN 245676 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.3 NCC(O)CN 013503 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.3 NCC(O)CO 093744 [0,0,0,0,0,0|1,0,0]=1 36 B5R0.3 NC[C@@H](O)CO 036807 [0,0,0,0,0,0|1,0,0]=1 37 B5R0.3 NC[C@H](O)CCl 320853 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.3 NNC(=O)CO 069267 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.3 O=C(CCl)CCl 469912 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.3 O=C(CO)CO 093516 [0,0,0,0,0,0|0,0,2]=2 41 B5R0.3 OC(CBr)CBr 242654 [0,0,0,0,0,0|2,0,0]=2 42 B5R0.3 OC(CCl)CCl 214775 [0,0,0,0,0,0|2,0,0]=2 43 B5R0.3 OCC(O)CCl 242924 [0,0,0,0,0,0|1,0,0]=1 44 B5R0.3 OCC(O)CO 094580 [0,0,0,0,0,0|0,0,0]=0 45 B5R0.3 OCC(O)CO 102072 [0,0,0,0,0,0|0,0,0]=0 46 B5R0.3 OCC(O)CO 104202 [0,0,0,0,0,0|0,0,0]=0 47 B5R0.3 OCC(O)CS 104512 [0,0,0,0,0,0|0,1,0]=1 48 B5R0.3 OC[C@@H](O)CCl 079187 [0,0,0,0,0,0|1,0,0]=1 49 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|1,0,1]=3 51 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|1,0,1]=3 52 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|1,0,1]=3 53 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|1,1,1]=4 57 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|0,0,2]=3 62 B4R0.1 CC(=O)NO 078547 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|1,0,2]=4 64 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|1,0,2]=4 69 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|2,0,0]=3 70 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|1,1,0]=3 74 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|3,0,0]=4 75 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|3,0,0]=4 77 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|1,0,0]=2 84 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|1,0,0]=2 85 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|1,0,0]=2 86 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|0,0,0]=1 87 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|1,0,2]=4 89 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|1,0,2]=4 93 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|2,0,0]=3 95 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|2,0,0]=3 96 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|2,0,0]=3 97 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|2,0,0]=3 98 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|1,1,0]=3 100 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|3,0,0]=4 101 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|1,0,0]=2 102 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|1,0,0]=2 104 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|0,0,0]=1 106 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|0,0,0]=1 109 B4R0.1 C\C(N)=N\O 075417 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 ClCC(Cl)Cl 520890 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.1 FC(F)CI 034707 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.1 NCC(=O)O 105741 [1,0,0,0,0,0|1,0,2]=4 113 B4R0.1 NCC(=O)O 229198 [1,0,0,0,0,0|1,0,2]=4 114 B4R0.1 NCC(=O)O M03001 [1,0,0,0,0,0|1,0,2]=4 115 B4R0.1 NCC(F)F 010670 [1,0,0,0,0,0|3,0,0]=4 116 B4R0.1 O=C(O)CBr 004135 [1,0,0,0,0,0|1,0,2]=4 117 B4R0.1 O=C(O)CCl 095375 [1,0,0,0,0,0|1,0,2]=4 118 B4R0.1 O=C(O)CI 520348 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.1 O=C(O)CO 058235 [1,0,0,0,0,0|0,0,2]=3 120 B4R0.1 O=C(O)CO 103022 [1,0,0,0,0,0|0,0,2]=3 121 B4R0.1 O=C(O)CS 097732 [1,0,0,0,0,0|0,1,2]=4 122 B4R0.1 O=C([O-])CO 195404 [1,0,0,0,0,0|0,0,3]=4 123 B4R0.1 O=S([O-])CO 450343 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|2,0,0]=3 125 B4R0.1 [15NH2][13CH2]C(=O)O 103447 [1,0,0,0,0,0|1,0,2]=4 126 B4R0.2 BrCCCBr 003830 [1,0,0,0,0,0|2,0,0]=3 127 B4R0.2 C#CCCBr 093952 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 C#CCCN 235851 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.2 C#CCCO 009077 [1,0,0,0,0,0|1,0,1]=3 131 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|1,0,1]=3 135 B4R0.2 CC#CCO 009076 [1,0,0,0,0,0|1,0,2]=4 136 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|1,0,2]=4 138 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|1,0,0]=2 143 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|1,0,0]=2 144 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|1,0,0]=2 145 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|1,1,0]=3 146 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|2,0,0]=3 147 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|1,1,0]=3 148 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|3,0,0]=4 156 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|2,1,0]=4 157 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|2,0,0]=3 161 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|3,0,0]=4 162 B4R0.2 COCCN 046846 [1,0,0,0,0,0|3,0,0]=4 163 B4R0.2 COCCO 043320 [1,0,0,0,0,0|2,0,0]=3 164 B4R0.2 COCCO 102150 [1,0,0,0,0,0|2,0,0]=3 165 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|3,0,0]=4 166 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|2,0,0]=3 167 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|1,0,2]=4 168 B4R0.2 ClCCCBr 094507 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 ClCCCCl 101461 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.2 ClCCCI 001486 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.2 ClCSCCl 108200 [1,0,0,0,0,0|3,0,0]=4 172 B4R0.2 FCCCI 095368 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 ICCCI 003098 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.2 N#CCCBr 227728 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 N#CCCCl 076020 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 N#CCCI 101901 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 N#CCCN 105100 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 N#CCCO 005000 [1,0,0,0,0,0|1,0,1]=3 179 B4R0.2 NCCCBr 079493 [1,0,0,0,0,0|2,0,0]=3 180 B4R0.2 NCCCCl 095817 [1,0,0,0,0,0|2,0,0]=3 181 B4R0.2 NCCCN 094590 [1,0,0,0,0,0|2,0,0]=3 182 B4R0.2 NCCCO 099680 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.2 NNCCO 069293 [1,0,0,0,0,0|2,0,0]=3 184 B4R0.2 OCCCBr 047460 [1,0,0,0,0,0|1,0,0]=2 185 B4R0.2 OCCCCl 024840 [1,0,0,0,0,0|1,0,0]=2 186 B4R0.2 OCCCF 010306 [1,0,0,0,0,0|1,0,0]=2 187 B4R0.2 OCCCI 002583 [1,0,0,0,0,0|1,0,0]=2 188 B4R0.2 OCCCO 095066 [1,0,0,0,0,0|0,0,0]=1 189 B4R0.2 SCCCCl 099136 [1,0,0,0,0,0|1,1,0]=3 190 B4R0.2 SCCCS 101936 [1,0,0,0,0,0|0,2,0]=3 191 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.1 C=CC(O)CCC 241561 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|3,0,0]=4 194 B6R0.1 CCC(N)COC 046850 [0,1,0,0,0,0|2,0,0]=3 195 B6R0.1 CCC(O)COC 375173 [0,1,0,0,0,0|1,0,0]=2 196 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|1,0,0]=2 197 B6R0.1 CCOC(=O)CO 227697 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.1 CC[C@@H](N)CC#N 012701 [0,1,0,0,0,0|3,0,0]=4 199 B6R0.1 CC[C@H](N)CC#N 012702 [0,1,0,0,0,0|3,0,0]=4 200 B6R0.1 CNCC(O)CO 208621 [0,1,0,0,0,0|1,0,0]=2 201 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|2,0,0]=3 202 B6R0.1 N#CC[C@H](O)CCl 092339 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.1 O=C(CCl)NCO 242902 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.1 OC(CBr)CCBr BR1637 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|2,0,1]=4 206 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.3 CC(CN)C(=O)O 226386 [0,1,0,0,0,0|2,0,1]=4 210 B6R0.3 CCC(Br)C(=O)O 242857 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.3 CCC(C)B(O)O 208610 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.3 CCC(C)C(=O)O 155900 [0,1,0,0,0,0|2,0,1]=4 213 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|2,0,0]=3 214 B6R0.3 CCC(N)C(=O)O M01290 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|2,0,0]=3 216 B6R0.3 CC[C@@H](N)C(=O)O 044880 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.3 CC[C@H](N)C(=O)O 024718 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 C[C@@H](CN)C(=O)O 215235 [0,1,0,0,0,0|2,0,1]=4 219 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,1,0,0,0,0|1,0,2]=4 220 B6R0.3 NC(CO)C(=O)O 093750 [0,1,0,0,0,0|1,0,1]=3 221 B6R0.3 NC(CS)C(=O)O 241173 [0,1,0,0,0,0|1,1,1]=4 222 B6R0.3 NC[C@H](O)C(=O)O 222535 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,1,0,0,0,0|1,0,1]=3 224 B6R0.3 N[C@@H](CS)C(=O)O 093727 [0,1,0,0,0,0|1,1,1]=4 225 B6R0.3 N[C@@H](CS)C(=O)O 102087 [0,1,0,0,0,0|1,1,1]=4 226 B6R0.3 N[C@@H](CS)C(=O)O 318726 [0,1,0,0,0,0|1,1,1]=4 227 B6R0.3 N[C@@H](CS)C(=O)O M03086 [0,1,0,0,0,0|1,1,1]=4 228 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.3 N[C@H](CS)C(=O)O 036386 [0,1,0,0,0,0|1,1,1]=4 230 B6R0.3 N[C@H](CS)C(=O)O 049424 [0,1,0,0,0,0|1,1,1]=4 231 B6R0.3 O=C(O)C(Br)CBr 077984 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.3 O=C(O)C(O)CO 143500 [0,1,0,0,0,0|0,0,1]=2 233 B6R0.8 C#CC(C)(O)CC 506763 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.8 CC(C)(CCl)CCl 134320 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.8 CC(C)(CN)CN 240612 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.8 CC(C)(CN)CO 033048 [0,1,0,0,0,0|2,0,0]=3 237 B6R0.8 CC(C)(CO)CBr 403120 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.8 CC(C)(CO)CO 235831 [0,1,0,0,0,0|1,0,0]=2 239 B6R0.8 CC(N)(CO)CO 098943 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.8 CNC(C)(C)CO 340517 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.9 CCC(C=O)CC 245909 [0,1,0,0,0,0|2,0,1]=4 242 B6R0.9 CCC(CC)CO 093975 [0,1,0,0,0,0|2,0,0]=3 243 B6R0.9 CCC(CC)NN 047022 [0,1,0,0,0,0|3,0,0]=4 244 B6R0.9 CCC(CN)OC 041816 [0,1,0,0,0,0|2,0,0]=3 245 B6R0.9 COC(CBr)OC 003454 [0,1,0,0,0,0|3,0,0]=4 246 B6R0.9 COC(CCl)OC 099309 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.9 COC(CN)OC 094452 [0,1,0,0,0,0|3,0,0]=4 248 B6R0.9 OCC(CO)CO 222829 [0,1,0,0,0,0|0,0,0]=1 249 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|3,0,0]=4 250 B6R1.2 BrC1CCNC1 211447 [0,0,0,1,0,0|3,0,0]=4 251 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|3,0,0]=4 252 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|3,0,0]=4 253 B6R1.2 F[C@@H]1CCNC1 013156 [0,0,0,1,0,0|3,0,0]=4 254 B6R1.2 F[C@H]1CCNC1 013157 [0,0,0,1,0,0|3,0,0]=4 255 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|3,0,0]=4 256 B6R1.2 NC1CC=CC1 011352 [0,0,0,1,0,0|3,0,0]=4 257 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|3,0,0]=4 258 B6R1.2 NC1CCNC1 024526 [0,0,0,1,0,0|3,0,0]=4 259 B6R1.2 NC1CCOC1 208592 [0,0,0,1,0,0|2,0,0]=3 260 B6R1.2 O=C1CCOC1 076836 [0,0,0,1,0,0|1,0,2]=4 261 B6R1.2 OC1CC=CC1 011661 [0,0,0,1,0,0|2,0,0]=3 262 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|2,0,0]=3 263 B6R1.2 OC1CCNC1 011341 [0,0,0,1,0,0|2,0,0]=3 264 B6R1.2 OC1CCOC1 005327 [0,0,0,1,0,0|1,0,0]=2 265 B6R1.2 O[C@@H]1CCNC1 076549 [0,0,0,1,0,0|2,0,0]=3 266 B6R1.2 O[C@@H]1CCOC1 093765 [0,0,0,1,0,0|1,0,0]=2 267 B6R1.2 O[C@H]1CCNC1 011760 [0,0,0,1,0,0|2,0,0]=3 268 B6R1.2 O[C@H]1CCNC1 093058 [0,0,0,1,0,0|2,0,0]=3 269 B6R1.2 O[C@H]1CCOC1 078070 [0,0,0,1,0,0|1,0,0]=2 270 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|2,1,0]=4 271 B6R1.6 BrCC1CCC1 067868 [0,0,0,1,0,0|3,0,0]=4 272 B6R1.6 ICC1CCC1 099276 [0,0,0,1,0,0|3,0,0]=4 273 B6R1.6 OCC1CCC1 009111 [0,0,0,1,0,0|2,0,0]=3 274 B6R1.6 OCC1CNC1 078174 [0,0,0,1,0,0|2,0,0]=3 275 B6R1.7 CC1(CCl)CO1 067862 [0,0,0,1,0,0|2,0,0]=3 276 B3R0.1 BrCCBr 050675 [2,0,0,0,0,0|2,0,0]=4 277 B3R0.1 C#CCO 167200 [2,0,0,0,0,0|0,0,2]=4 278 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|1,0,1]=4 279 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|0,0,2]=4 280 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 281 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,2]=4 282 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,0]=3 283 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,0]=3 284 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,0]=3 285 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,0]=2 286 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,0]=2 287 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,0]=3 288 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,0]=3 289 B3R0.1 CCNC 044624 [2,0,0,0,0,0|2,0,0]=4 290 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 291 B3R0.1 COCBr 005432 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|2,0,0]=4 293 B3R0.1 C\C=N\O 102319 [2,0,0,0,0,0|1,0,1]=4 294 B3R0.1 C\C=N\O 358241 [2,0,0,0,0,0|1,0,1]=4 295 B3R0.1 ClCCBr BR1051 [2,0,0,0,0,0|2,0,0]=4 296 B3R0.1 ClCCCl 043318 [2,0,0,0,0,0|2,0,0]=4 297 B3R0.1 ClCCCl 102594 [2,0,0,0,0,0|2,0,0]=4 298 B3R0.1 ClCCI 001485 [2,0,0,0,0,0|2,0,0]=4 299 B3R0.1 FCCI 095367 [2,0,0,0,0,0|2,0,0]=4 300 B3R0.1 ICCI 103493 [2,0,0,0,0,0|2,0,0]=4 301 B3R0.1 NCCBr 078524 [2,0,0,0,0,0|2,0,0]=4 302 B3R0.1 NCCCl 119280 [2,0,0,0,0,0|2,0,0]=4 303 B3R0.1 NCCCl 362131 [2,0,0,0,0,0|2,0,0]=4 304 B3R0.1 NCCF 078652 [2,0,0,0,0,0|2,0,0]=4 305 B3R0.1 NCCF 364319 [2,0,0,0,0,0|2,0,0]=4 306 B3R0.1 NCCN 043401 [2,0,0,0,0,0|2,0,0]=4 307 B3R0.1 NCCN 105894 [2,0,0,0,0,0|2,0,0]=4 308 B3R0.1 NCCN 139700 [2,0,0,0,0,0|2,0,0]=4 309 B3R0.1 NCCO 043400 [2,0,0,0,0,0|1,0,0]=3 310 B3R0.1 NCCO 103645 [2,0,0,0,0,0|1,0,0]=3 311 B3R0.1 NCCO 492434 [2,0,0,0,0,0|1,0,0]=3 312 B3R0.1 NCCS 003420 [2,0,0,0,0,0|1,1,0]=4 313 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,0,0]=3 314 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,0,0]=3 315 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,0,0]=3 316 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,0,0]=3 317 B3R0.1 OCCO 044710 [2,0,0,0,0,0|0,0,0]=2 318 B3R0.1 OCCS 003836 [2,0,0,0,0,0|0,1,0]=3 319 B3R0.1 SCCS M03555 [2,0,0,0,0,0|0,2,0]=4 320 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 321 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 322 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|2,0,0]=4 324 B3R0.2 CB(O)O 214665 [2,0,0,0,0,0|1,0,0]=3 325 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|0,0,2]=4 326 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|0,0,2]=4 327 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|0,0,2]=4 328 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|0,0,2]=4 329 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|0,0,2]=4 330 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|0,0,2]=4 331 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|0,0,2]=4 332 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|0,0,2]=4 333 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|0,0,2]=4 334 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,0,2]=4 335 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,2]=4 336 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,0,2]=4 337 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,0,2]=4 338 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,0,2]=4 339 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,0,2]=4 340 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,0]=3 341 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,0]=3 342 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,0]=3 343 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,0]=3 344 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,0]=3 345 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,0]=3 346 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,0]=2 347 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,0]=2 348 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,0]=2 349 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,0]=2 350 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,0]=2 351 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,0]=3 352 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,1]=3 353 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,1]=3 354 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,0]=3 355 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 356 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|2,0,0]=4 357 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|2,0,0]=4 358 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|2,0,0]=4 359 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|2,0,0]=4 360 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|2,0,0]=4 361 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|2,0,0]=4 362 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|2,0,0]=4 363 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 364 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,0]=3 365 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,1]=4 367 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,1]=4 368 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,1]=4 369 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|2,0,0]=4 370 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 371 B3R0.2 O=C(O)O 094746 [2,0,0,0,0,0|0,0,2]=4 372 B3R0.2 O=C(O)O 105338 [2,0,0,0,0,0|0,0,2]=4 373 B3R0.2 O=C(O)O 105407 [2,0,0,0,0,0|0,0,2]=4 374 B3R0.2 O=[Si](O)O 101481 [2,0,0,0,0,0|0,1,1]=4 375 B3R0.2 OB(O)O 094443 [2,0,0,0,0,0|1,0,0]=3 376 B3R0.2 OB(O)O 099748 [2,0,0,0,0,0|1,0,0]=3 377 B3R0.2 OB(O)O 103993 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.2 OB(O)O 104270 [2,0,0,0,0,0|1,0,0]=3 379 B3R0.2 OB(O)O 104328 [2,0,0,0,0,0|1,0,0]=3 380 B5R0.1 C#CCC(C)C 104535 [1,1,0,0,0,0|2,0,0]=4 381 B5R0.1 C#CCC(C)O 532537 [1,1,0,0,0,0|1,0,0]=3 382 B5R0.1 C=C(C)CCO 358461 [1,1,0,0,0,0|1,0,1]=4 383 B5R0.1 C=CCC(C)C 106337 [1,1,0,0,0,0|2,0,0]=4 384 B5R0.1 CC(=O)CCO 358442 [1,1,0,0,0,0|0,0,2]=4 385 B5R0.1 CC(=O)NCO 430081 [1,1,0,0,0,0|0,0,2]=4 386 B5R0.1 CC(Br)CCBr BR1240 [1,1,0,0,0,0|2,0,0]=4 387 B5R0.1 CC(C)=CCO 358414 [1,1,0,0,0,0|1,0,1]=4 388 B5R0.1 CC(C)CC#N 386919 [1,1,0,0,0,0|2,0,0]=4 389 B5R0.1 CC(C)CC=O 094970 [1,1,0,0,0,0|1,0,1]=4 390 B5R0.1 CC(C)CCBr BR1353 [1,1,0,0,0,0|2,0,0]=4 391 B5R0.1 CC(C)CCI 046949 [1,1,0,0,0,0|2,0,0]=4 392 B5R0.1 CC(C)CCN 097749 [1,1,0,0,0,0|2,0,0]=4 393 B5R0.1 CC(C)CCO 097704 [1,1,0,0,0,0|1,0,0]=3 394 B5R0.1 CC(C)CCO 103352 [1,1,0,0,0,0|1,0,0]=3 395 B5R0.1 CC(C)CCS 358459 [1,1,0,0,0,0|1,1,0]=4 396 B5R0.1 CC(C)CNN 023508 [1,1,0,0,0,0|2,0,0]=4 397 B5R0.1 CC(O)CCO 099380 [1,1,0,0,0,0|0,0,0]=2 398 B5R0.1 CCCB(O)O 092177 [1,1,0,0,0,0|2,0,0]=4 399 B5R0.1 CCCC(C)Br 024476 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.1 CCCC(C)Br BR1101 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.1 CCCC(C)C 098758 [1,1,0,0,0,0|2,0,0]=4 402 B5R0.1 CCCC(C)N 097754 [1,1,0,0,0,0|2,0,0]=4 403 B5R0.1 CCCC(C)O 099024 [1,1,0,0,0,0|1,0,0]=3 404 B5R0.1 CCCC(C)S 070734 [1,1,0,0,0,0|1,1,0]=4 405 B5R0.1 CCC[C@H](C)O 036089 [1,1,0,0,0,0|1,0,0]=3 406 B5R0.1 CCNC(C)C 057128 [1,1,0,0,0,0|2,0,0]=4 407 B5R0.1 CN(C)CCO 044665 [1,1,0,0,0,0|2,0,0]=4 408 B5R0.1 CNCC(C)C 047078 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.1 COCC(=O)O 237785 [1,1,0,0,0,0|0,0,2]=4 410 B5R0.1 COCC(C)=O 002450 [1,1,0,0,0,0|0,0,2]=4 411 B5R0.1 COCC(C)N 402335 [1,1,0,0,0,0|1,0,0]=3 412 B5R0.1 COCC(C)O 093985 [1,1,0,0,0,0|0,0,0]=2 413 B5R0.1 COC[C@@H](C)N 079780 [1,1,0,0,0,0|1,0,0]=3 414 B5R0.1 COC[C@@H](C)O 036090 [1,1,0,0,0,0|0,0,0]=2 415 B5R0.1 C[C@@H](N)CCO 092790 [1,1,0,0,0,0|1,0,0]=3 416 B5R0.1 C[C@@H](O)CCO 041923 [1,1,0,0,0,0|0,0,0]=2 417 B5R0.1 C[C@H](N)CCO 092789 [1,1,0,0,0,0|1,0,0]=3 418 B5R0.1 C[C@H](O)CCO 041922 [1,1,0,0,0,0|0,0,0]=2 419 B5R0.1 NOCC(=O)O 222804 [1,1,0,0,0,0|0,0,2]=4 420 B5R0.1 O=C(O)CCO 147100 [1,1,0,0,0,0|0,0,2]=4 421 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|2,0,0]=4 424 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|2,0,0]=4 425 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|2,0,0]=4 426 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|1,0,0]=3 427 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|2,0,0]=4 429 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|1,0,0]=3 430 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|1,0,1]=4 431 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,0,0]=3 432 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,0,0]=3 433 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|0,0,0]=2 434 B5R0.4 CC(F)(F)CO 034700 [1,1,0,0,0,0|1,0,0]=3 435 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|2,0,0]=4 436 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|2,0,0]=4 437 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|1,0,0]=3 438 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|1,0,0]=3 439 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|1,0,0]=3 440 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.4 NCP(=O)(O)O 386319 [1,1,0,0,0,0|2,0,0]=4 444 B5R0.4 OCC(Cl)(Cl)Cl 239911 [1,1,0,0,0,0|2,0,0]=4 445 B5R0.4 OCC(F)(F)F 001273 [1,1,0,0,0,0|2,0,0]=4 446 B5R0.4 OCC(F)(F)F 102144 [1,1,0,0,0,0|2,0,0]=4 447 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|0,0,2]=4 448 B5R0.5 CC(Br)C(=O)O BR1120 [1,1,0,0,0,0|1,0,1]=4 449 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|2,0,0]=4 450 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|2,0,0]=4 451 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|1,0,1]=4 452 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|2,0,0]=4 453 B5R0.5 CC(Cl)C(=O)O 240303 [1,1,0,0,0,0|1,0,1]=4 454 B5R0.5 CC(F)C(=O)O 024847 [1,1,0,0,0,0|1,0,1]=4 455 B5R0.5 CC(N)C(=O)O 094978 [1,1,0,0,0,0|1,0,1]=4 456 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|0,0,1]=3 457 B5R0.5 CC(O)C(=O)[O-] 492494 [1,1,0,0,0,0|0,0,2]=4 458 B5R0.5 CC(O)C(N)=O 341750 [1,1,0,0,0,0|0,0,2]=4 459 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|0,1,1]=4 460 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,1,0,0,0,0|1,0,1]=4 461 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,1,0,0,0,0|1,0,1]=4 462 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|0,0,1]=3 463 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,1,0,0,0,0|0,0,2]=4 464 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,1,0,0,0,0|0,0,2]=4 465 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|0,0,0]=2 466 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,1,0,0,0,0|1,0,1]=4 467 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|2,0,0]=4 468 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,1,0,0,0,0|1,0,1]=4 469 B5R0.5 C[C@H](N)C(=O)O 080323 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|0,0,1]=3 471 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,1,0,0,0,0|0,0,2]=4 472 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|0,0,0]=2 474 B5R0.5 O=C(O)C(O)O 143700 [1,1,0,0,0,0|0,0,1]=3 475 B5R0.5 OB(O)B(O)O 051159 [1,1,0,0,0,0|2,0,0]=4 476 B5R0.2 BrCCCCBr 004638 [1,1,0,0,0,0|2,0,0]=4 477 B5R0.2 C#CCCCC 098932 [1,1,0,0,0,0|2,0,0]=4 478 B5R0.2 C#CCCCCl 120900 [1,1,0,0,0,0|2,0,0]=4 479 B5R0.2 C#CCCCO 164406 [1,1,0,0,0,0|1,0,0]=3 480 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|2,0,0]=4 481 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|2,0,0]=4 482 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|2,0,0]=4 483 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|1,0,1]=4 485 B5R0.2 CC#CCCO 010354 [1,1,0,0,0,0|1,0,1]=4 486 B5R0.2 CCC#CCO 164400 [1,1,0,0,0,0|1,0,1]=4 487 B5R0.2 CCCCC#N 386692 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|1,0,1]=4 489 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|1,0,1]=4 490 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|2,0,0]=4 491 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|2,0,0]=4 492 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|2,0,0]=4 493 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|2,0,0]=4 494 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|2,0,0]=4 495 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|2,0,0]=4 496 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|2,0,0]=4 497 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|1,0,0]=3 498 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.2 CCCCNN 324841 [1,1,0,0,0,0|2,0,0]=4 500 B5R0.2 CCCC[Zn]Br 213843 [1,1,0,0,0,0|2,0,0]=4 501 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|2,0,0]=4 502 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|2,0,0]=4 505 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|1,0,0]=3 507 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|1,0,0]=3 510 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|1,0,1]=4 511 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|1,0,0]=3 513 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|1,0,1]=4 515 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|1,0,0]=3 516 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|1,0,0]=3 517 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|0,0,0]=2 518 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|1,1,0]=4 521 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|0,1,0]=3 522 B5R0.2 ClCCCCBr 235481 [1,1,0,0,0,0|2,0,0]=4 523 B5R0.2 ClCCCCCl 099062 [1,1,0,0,0,0|2,0,0]=4 524 B5R0.2 ClCCCCI 242676 [1,1,0,0,0,0|2,0,0]=4 525 B5R0.2 FCCCCBr 001725 [1,1,0,0,0,0|2,0,0]=4 526 B5R0.2 ICCCCI 239851 [1,1,0,0,0,0|2,0,0]=4 527 B5R0.2 N#CCCCBr 001102 [1,1,0,0,0,0|2,0,0]=4 528 B5R0.2 N#CCCCCl 097788 [1,1,0,0,0,0|2,0,0]=4 529 B5R0.2 N#CCCCI 101902 [1,1,0,0,0,0|2,0,0]=4 530 B5R0.2 NCCCCBr 227649 [1,1,0,0,0,0|2,0,0]=4 531 B5R0.2 NCCCCN 098368 [1,1,0,0,0,0|2,0,0]=4 532 B5R0.2 NCCCCO 036678 [1,1,0,0,0,0|1,0,0]=3 533 B5R0.2 OCC#CCO 009074 [1,1,0,0,0,0|0,0,1]=3 534 B5R0.2 OCCCCBr 036997 [1,1,0,0,0,0|1,0,0]=3 535 B5R0.2 OCCCCCl 097634 [1,1,0,0,0,0|1,0,0]=3 536 B5R0.2 OC\C=C/CO 095819 [1,1,0,0,0,0|0,0,1]=3 537 B5R0.2 OC\C=C/CO 098937 [1,1,0,0,0,0|0,0,1]=3 538 B5R0.2 SCCCCS 102622 [1,1,0,0,0,0|0,2,0]=4 539 B5R0.2 [C-]#[N+]CCCC 021027 [1,1,0,0,0,0|2,0,0]=4 540 B5R0.2 [N-]=[N+]=NCCO 062213 [1,1,0,0,0,0|2,0,0]=4 541 B7R0.2 CC(C)C[C@H](N)CO M03441 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|2,0,0]=4 543 B7R0.2 CN(C)CC(O)CO 077998 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.2 NCC(O)CC(=O)O 093269 [0,2,0,0,0,0|1,0,0]=3 545 B7R0.5 COC[C@@H](N)C(=O)O 079034 [0,2,0,0,0,0|1,0,1]=4 546 B7R0.5 COC[C@H](N)C(=O)O 093724 [0,2,0,0,0,0|1,0,1]=4 547 B7R0.5 NCC[C@H](O)C(=O)O 011347 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.7 CN(CCO)CCO 358284 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.7 COCC(N)COC 091645 [0,2,0,0,0,0|1,0,0]=3 551 B7R0.7 N#CCC(O)CC#N 219026 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,2,0,0,0,0|1,0,1]=4 553 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,2,0,0,0,0|0,0,1]=3 554 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.10 OC[C@H](O)[C@H](O)CO 003436 [0,2,0,0,0,0|0,0,0]=2 556 B7R0.10 O[C@H](CS)[C@H](O)CS M02712 [0,2,0,0,0,0|0,1,0]=3 557 B7R0.10 O[C@H](CS)[C@H](O)CS M02716 [0,2,0,0,0,0|0,1,0]=3 558 B7R0.12 COCC(OC)OC 152900 [0,2,0,0,0,0|2,0,0]=4 559 B7R0.13 CC(C)(CO)C(=O)O 147000 [0,2,0,0,0,0|1,0,1]=4 560 B7R0.13 OCC(F)(F)C(F)F 001676 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.14 CC(C)(C)C(O)CO 105040 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.14 CC(C)(C)[C@H](N)CO 208674 [0,2,0,0,0,0|2,0,0]=4 563 B7R0.14 CC(CO)C(C)(C)C 102491 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.14 CCC(O)C(C)(C)C 106616 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.14 OC(CBr)C(F)(F)F 001229 [0,2,0,0,0,0|2,0,0]=4 566 B7R0.15 CCC(CC)C(=O)O 237870 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.15 O=C(O)C(CBr)CBr 094009 [0,2,0,0,0,0|2,0,0]=4 568 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|1,0,1]=4 569 B7R0.16 CC(C)C(O)C(C)C 342202 [0,2,0,0,0,0|2,0,0]=4 570 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,2,0,0,0,0|1,0,1]=4 572 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.18 C#CC(O)(CC)CC 103397 [0,2,0,0,0,0|2,0,0]=4 574 B7R0.18 CC(CO)(CO)CO 095815 [0,2,0,0,0,0|0,0,0]=2 575 B7R0.18 CCC(N)(CO)CO 243032 [0,2,0,0,0,0|1,0,0]=3 576 B7R0.18 NC(CO)(CO)CO 045158 [0,2,0,0,0,0|0,0,0]=2 577 B7R0.18 NC(CO)(CO)CO 045450 [0,2,0,0,0,0|0,0,0]=2 578 B7R0.18 NC(CO)(CO)CO 104162 [0,2,0,0,0,0|0,0,0]=2 579 B7R0.18 NC(CO)(CO)CO 104575 [0,2,0,0,0,0|0,0,0]=2 580 B7R0.18 NC(CO)(CO)CO 492437 [0,2,0,0,0,0|0,0,0]=2 581 B7R0.18 NC(CO)(CO)CO M02622 [0,2,0,0,0,0|0,0,0]=2 582 B7R0.18 NC(CO)(CO)CO M02623 [0,2,0,0,0,0|0,0,0]=2 583 B5R1.2 BrC1COC1 107040 [1,0,0,1,0,0|1,0,0]=3 584 B5R1.2 BrC1COC1 223475 [1,0,0,1,0,0|1,0,0]=3 585 B5R1.2 IC1COC1 242158 [1,0,0,1,0,0|1,0,0]=3 586 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|2,0,0]=4 587 B5R1.2 NC1COC1 320095 [1,0,0,1,0,0|1,0,0]=3 588 B5R1.2 O=C1COC1 044814 [1,0,0,1,0,0|0,0,2]=4 589 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|1,0,0]=3 590 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|1,0,0]=3 591 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|0,0,0]=2 592 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|2,0,0]=4 593 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|1,0,0]=3 594 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|1,0,0]=3 595 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|2,0,0]=4 596 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|1,0,0]=3 597 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|1,0,0]=3 598 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|1,0,0]=3 599 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|2,0,0]=4 600 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|2,0,0]=4 601 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|2,0,0]=4 602 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|1,0,0]=3 603 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|0,0,0]=2 604 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|0,0,0]=2 605 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|0,0,0]=2 606 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|1,0,0]=3 607 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|2,0,0]=4 608 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|1,0,1]=4 609 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|2,0,0]=4 610 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|1,0,0]=3 611 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|1,0,0]=3 612 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|1,0,0]=3 613 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|1,0,0]=3 614 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|1,0,0]=3 615 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|1,0,0]=3 616 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|1,0,0]=3 617 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|1,0,0]=3 618 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|1,0,0]=3 619 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|1,1,0]=4 620 B5R1.1 C1COCO1 098850 [1,0,0,1,0,0|2,0,0]=4 621 B7R1.1 BrCC1CCCO1 067835 [0,1,0,1,0,0|2,0,0]=4 622 B7R1.1 BrCC1OCCO1 077359 [0,1,0,1,0,0|2,0,0]=4 623 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|2,0,0]=4 624 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|2,0,0]=4 625 B7R1.1 ClCC1CCCO1 171500 [0,1,0,1,0,0|2,0,0]=4 626 B7R1.1 ClCC1OCCO1 080067 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.1 NCC1CCCO1 094973 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.1 NC[C@@H]1CCCO1 228127 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.1 NC[C@H]1CCCO1 216897 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.1 OCC1CCCN1 093752 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.1 OCC1CCCO1 235709 [0,1,0,1,0,0|1,0,0]=3 633 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|1,0,0]=3 634 B7R1.1 OC[C@@H]1CCCN1 M03445 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.1 OC[C@H]1CCCN1 045535 [0,1,0,1,0,0|2,0,0]=4 636 B7R1.1 OC[C@H]1CCCO1 304017 [0,1,0,1,0,0|1,0,0]=3 637 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.2 CN1CCC(O)C1 040009 [0,1,0,1,0,0|2,0,0]=4 639 B7R1.2 CN1CC[C@H](O)C1 092713 [0,1,0,1,0,0|2,0,0]=4 640 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|1,0,1]=4 641 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.2 OC1CCC(O)C1 501728 [0,1,0,1,0,0|1,0,0]=3 643 B7R1.2 O[C@@H]1C=C[C@H](O)C1 501741 [0,1,0,1,0,0|1,0,1]=4 644 B7R1.3 BrC1CCOCC1 077342 [0,1,0,1,0,0|2,0,0]=4 645 B7R1.3 CC1COCCN1 093767 [0,1,0,1,0,0|2,0,0]=4 646 B7R1.3 IC1CCOCC1 067477 [0,1,0,1,0,0|2,0,0]=4 647 B7R1.3 NC1CCCOC1 041901 [0,1,0,1,0,0|2,0,0]=4 648 B7R1.3 NC1CCOCC1 023514 [0,1,0,1,0,0|2,0,0]=4 649 B7R1.3 NC1CCOCC1 043887 [0,1,0,1,0,0|2,0,0]=4 650 B7R1.3 OC1CCCCC1 094602 [0,1,0,1,0,0|2,0,0]=4 651 B7R1.3 OC1CCCCO1 068766 [0,1,0,1,0,0|2,0,0]=4 652 B7R1.3 OC1CCCNC1 011774 [0,1,0,1,0,0|2,0,0]=4 653 B7R1.3 OC1CCCNC1 068876 [0,1,0,1,0,0|2,0,0]=4 654 B7R1.3 OC1CCCOC1 047681 [0,1,0,1,0,0|1,0,0]=3 655 B7R1.3 OC1CCNCC1 043869 [0,1,0,1,0,0|2,0,0]=4 656 B7R1.3 OC1CCOCC1 068764 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.3 OC1COCOC1 069030 [0,1,0,1,0,0|0,0,0]=2 658 B7R1.3 O[C@@H]1CCCNC1 011776 [0,1,0,1,0,0|2,0,0]=4 659 B7R1.3 O[C@H]1CCCNC1 011775 [0,1,0,1,0,0|2,0,0]=4 660 B7R1.4 CC1OCCC1S 358069 [0,1,0,1,0,0|1,1,0]=4 661 B7R1.4 N[C@@H]1CCC[C@H]1O 093661 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.4 O[C@@H]1CNC[C@H]1F 360781 [0,1,0,1,0,0|2,0,0]=4 663 B7R1.4 O[C@H]1CCC[C@H]1O 342198 [0,1,0,1,0,0|1,0,0]=3 664 B7R1.4 O[C@H]1CNC[C@@H]1O 224938 [0,1,0,1,0,0|1,0,0]=3 665 B7R1.4 O[C@H]1COC[C@H]1O 319812 [0,1,0,1,0,0|0,0,0]=2 666 B7R1.25 C=CC1(O)COC1 305027 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.25 CC1(CBr)COC1 033204 [0,1,0,1,0,0|2,0,0]=4 668 B7R1.25 CC1(CO)COC1 076843 [0,1,0,1,0,0|1,0,0]=3 669 B7R1.23 OCC1CC1(F)F 024174 [0,1,0,1,0,0|2,0,0]=4 670 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|2,0,0]=4 671 B7R1.29 OCC1(CO)CC1 067771 [0,1,0,1,0,0|1,0,0]=3 672 B7R2.13 C1CC2OC2C1 078957 [0,0,0,2,0,0|2,0,0]=4 673 B7R2.13 C1OCC2OC12 091902 [0,0,0,2,0,0|1,0,0]=3