0 B5R0.1 C#CCC(C)C 104535 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C#CCC(C)O 532537 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(C)CCBr 223736 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C=C(C)CCO 358461 [0,0,0,0,0,0|1,0,1]=2 4 B5R0.1 C=C(C)OCC 471668 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C=CCC(C)C 106337 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.1 CC(=O)CCCl 069833 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 CC(=O)CCO 358442 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CC(=O)NCO 430081 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.1 CC(Br)CCBr BR1240 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.1 CC(C)=CC=O 386384 [0,0,0,0,0,0|1,0,3]=4 11 B5R0.1 CC(C)=CCBr 053316 [0,0,0,0,0,0|2,0,1]=3 12 B5R0.1 CC(C)=CCCl 349314 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CC(C)=CCO 358414 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.1 CC(C)CC#N 386919 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CC(C)CC=O 094970 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 CC(C)CCBr BR1353 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CC(C)CCI 046949 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CC(C)CCN 097749 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 CC(C)CCO 097704 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 CC(C)CCO 103352 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CC(C)CCS 358459 [0,0,0,0,0,0|1,1,0]=2 22 B5R0.1 CC(C)CNN 023508 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 CC(C)N=C=S 008986 [0,0,0,0,0,0|2,1,1]=4 24 B5R0.1 CC(C)NC=O 103706 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.1 CC(C)SC#N 005915 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 CC(O)CCO 099380 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 CCCB(O)O 092177 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.1 CCCC(=O)Cl 098879 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.1 CCCC(=O)O 102473 [0,0,0,0,0,0|4,0,0]=4 30 B5R0.1 CCCC(C)Br 024476 [0,0,0,0,0,0|3,0,0]=3 31 B5R0.1 CCCC(C)Br BR1101 [0,0,0,0,0,0|3,0,0]=3 32 B5R0.1 CCCC(C)C 098758 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 CCCC(C)N 097754 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.1 CCCC(C)O 099024 [0,0,0,0,0,0|3,0,0]=3 35 B5R0.1 CCCC(C)S 070734 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.1 CCCC(N)=O 356018 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 CCC[C@H](C)O 036089 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.1 CCC[N+](=O)[O-] 520877 [0,0,0,0,0,0|3,0,1]=4 39 B5R0.1 CCNC(C)C 057128 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.1 CCOC(C)=N 239394 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.1 CCOC(C)=O 035909 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.1 CCOC(C)=O 099553 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.1 CCOC(C)=O 099895 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 CN(C)CCBr 077959 [0,0,0,0,0,0|1,0,0]=1 45 B5R0.1 CN(C)CCCl 077638 [0,0,0,0,0,0|1,0,0]=1 46 B5R0.1 CN(C)CCN 043851 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.1 CN(C)CCO 044665 [0,0,0,0,0,0|0,0,0]=0 48 B5R0.1 CN(C)CCS 450419 [0,0,0,0,0,0|0,1,0]=1 49 B5R0.1 CNCC(C)C 047078 [0,0,0,0,0,0|3,0,0]=3 50 B5R0.1 COCC(C)=O 002450 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.1 COCC(C)N 402335 [0,0,0,0,0,0|4,0,0]=4 52 B5R0.1 COCC(C)O 093985 [0,0,0,0,0,0|4,0,0]=4 53 B5R0.1 COC[C@@H](C)N 079780 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 COC[C@@H](C)O 036090 [0,0,0,0,0,0|4,0,0]=4 55 B5R0.1 CSCS(C)=O 303199 [0,0,0,0,0,0|4,0,0]=4 56 B5R0.1 C[C@@H](N)CCO 092790 [0,0,0,0,0,0|2,0,0]=2 57 B5R0.1 C[C@@H](O)CCO 041923 [0,0,0,0,0,0|2,0,0]=2 58 B5R0.1 C[C@H](N)CCO 092789 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.1 C[C@H](O)CCO 041922 [0,0,0,0,0,0|2,0,0]=2 60 B5R0.1 NC(=O)CCBr 456436 [0,0,0,0,0,0|4,0,0]=4 61 B5R0.1 NC(=O)CCCl 180018 [0,0,0,0,0,0|4,0,0]=4 62 B5R0.1 NCCC(=O)O 044720 [0,0,0,0,0,0|4,0,0]=4 63 B5R0.1 NCCC(N)=O 221578 [0,0,0,0,0,0|4,0,0]=4 64 B5R0.1 O=C(Cl)CCBr 104627 [0,0,0,0,0,0|4,0,0]=4 65 B5R0.1 O=C(Cl)CCCl 095162 [0,0,0,0,0,0|4,0,0]=4 66 B5R0.1 O=C(O)CCBr 003025 [0,0,0,0,0,0|4,0,0]=4 67 B5R0.1 O=C(O)CCCl 242740 [0,0,0,0,0,0|4,0,0]=4 68 B5R0.1 O=C(O)CCI 003069 [0,0,0,0,0,0|4,0,0]=4 69 B5R0.1 O=C(O)CCO 147100 [0,0,0,0,0,0|3,0,0]=3 70 B5R0.1 O=C(O)CCS 094485 [0,0,0,0,0,0|3,1,0]=4 71 B5R0.1 O=[N+]([O-])CCO 358303 [0,0,0,0,0,0|2,0,1]=3 72 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|1,1,1]=4 77 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 CC(=O)NO 078547 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|1,0,2]=4 86 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|1,0,2]=4 87 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|2,0,0]=3 90 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|1,0,0]=2 91 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|1,1,0]=3 92 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|3,0,0]=4 93 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|2,0,0]=3 94 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|3,0,0]=4 95 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|3,0,0]=4 96 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|3,0,0]=4 97 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|3,0,0]=4 98 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|3,0,0]=4 99 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|3,0,0]=4 100 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|3,0,0]=4 102 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|3,0,0]=4 103 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|3,0,0]=4 106 B4R0.1 CCC(=O)Br BR1194 [1,0,0,0,0,0|3,0,0]=4 107 B4R0.1 CCC(=O)Cl 098881 [1,0,0,0,0,0|3,0,0]=4 108 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|3,0,0]=4 109 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|3,0,0]=4 110 B4R0.1 CCC(=O)[O-] 105990 [1,0,0,0,0,0|3,0,0]=4 111 B4R0.1 CCC(=O)[O-] 106505 [1,0,0,0,0,0|3,0,0]=4 112 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|2,0,0]=3 115 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|2,0,0]=3 116 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|1,0,0]=2 118 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|2,0,0]=3 121 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|2,0,0]=3 122 B4R0.1 CCC(N)=O 069325 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|0,0,0]=1 124 B4R0.1 CCS(=O)[O-] 035597 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|2,0,0]=3 126 B4R0.1 CN(C)C#N 099034 [1,0,0,0,0,0|1,0,1]=3 127 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|0,0,2]=3 128 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|0,0,2]=3 129 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|0,0,2]=3 130 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|0,0,2]=3 131 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|0,0,2]=3 132 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|0,1,1]=3 133 B4R0.1 CNC(C)=O 154700 [1,0,0,0,0,0|3,0,0]=4 134 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|2,0,0]=3 135 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|1,0,0]=2 136 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|3,0,0]=4 140 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|2,0,0]=3 141 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|2,0,0]=3 144 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|1,0,2]=4 145 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|1,0,2]=4 146 B4R0.1 C[SH](C)BCl 102603 [1,0,0,0,0,0|3,0,0]=4 147 B4R0.1 C[SH](C)[Au]Cl 101972 [1,0,0,0,0,0|3,0,0]=4 148 B4R0.1 C\C(N)=N\O 075417 [1,0,0,0,0,0|3,0,0]=4 149 B4R0.1 O=C(O)CO 058235 [1,0,0,0,0,0|3,0,0]=4 150 B4R0.1 O=C(O)CO 103022 [1,0,0,0,0,0|3,0,0]=4 151 B4R0.1 O=C([O-])CO 195404 [1,0,0,0,0,0|3,0,0]=4 152 B4R0.1 O=S([O-])CO 450343 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.2 BrCCCBr 003830 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.2 C#CCCBr 093952 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.2 C#CCCN 235851 [1,0,0,0,0,0|2,0,1]=4 158 B4R0.2 C#CCCO 009077 [1,0,0,0,0,0|1,0,1]=3 159 B4R0.2 C#CCOC 044755 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|1,0,1]=3 164 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|1,0,1]=3 165 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 CC#CCBr 009057 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 CC#CCO 009076 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|1,0,2]=4 170 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|2,0,0]=3 172 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|2,0,0]=3 173 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|2,0,0]=3 174 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|1,0,0]=2 175 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|1,0,0]=2 176 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|1,0,0]=2 177 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|1,1,0]=3 178 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|2,0,0]=3 179 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|1,1,0]=3 180 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|1,0,0]=2 181 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|3,0,0]=4 182 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|3,0,0]=4 183 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|3,0,0]=4 184 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|3,0,0]=4 185 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|3,0,0]=4 186 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|3,0,0]=4 187 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|3,0,0]=4 188 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|2,1,0]=4 189 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|3,0,0]=4 190 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|3,0,0]=4 191 B4R0.2 CNCC#N 078723 [1,0,0,0,0,0|1,0,1]=3 192 B4R0.2 CNCC#N 238940 [1,0,0,0,0,0|1,0,1]=3 193 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|1,0,0]=2 194 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|0,0,0]=1 195 B4R0.2 COCC#N 002451 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.2 COCCN 046846 [1,0,0,0,0,0|2,0,0]=3 198 B4R0.2 COCCO 043320 [1,0,0,0,0,0|1,0,0]=2 199 B4R0.2 COCCO 102150 [1,0,0,0,0,0|1,0,0]=2 200 B4R0.2 COCOC 094560 [1,0,0,0,0,0|3,0,0]=4 201 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|1,0,0]=2 203 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|2,0,1]=4 204 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.2 ClCCCBr 094507 [1,0,0,0,0,0|3,0,0]=4 206 B4R0.2 ClCCCCl 101461 [1,0,0,0,0,0|3,0,0]=4 207 B4R0.2 ClCCCI 001486 [1,0,0,0,0,0|3,0,0]=4 208 B4R0.2 FCCCI 095368 [1,0,0,0,0,0|3,0,0]=4 209 B4R0.2 ICCCI 003098 [1,0,0,0,0,0|3,0,0]=4 210 B4R0.2 N#CCCBr 227728 [1,0,0,0,0,0|3,0,0]=4 211 B4R0.2 N#CCCCl 076020 [1,0,0,0,0,0|3,0,0]=4 212 B4R0.2 N#CCCI 101901 [1,0,0,0,0,0|3,0,0]=4 213 B4R0.2 N#CCCN 105100 [1,0,0,0,0,0|3,0,0]=4 214 B4R0.2 N#CCCO 005000 [1,0,0,0,0,0|2,0,0]=3 215 B4R0.2 NCCCBr 079493 [1,0,0,0,0,0|3,0,0]=4 216 B4R0.2 NCCCCl 095817 [1,0,0,0,0,0|3,0,0]=4 217 B4R0.2 NCCCN 094590 [1,0,0,0,0,0|3,0,0]=4 218 B4R0.2 NCCCO 099680 [1,0,0,0,0,0|2,0,0]=3 219 B4R0.2 NNCCO 069293 [1,0,0,0,0,0|1,0,0]=2 220 B4R0.2 OCCCBr 047460 [1,0,0,0,0,0|2,0,0]=3 221 B4R0.2 OCCCCl 024840 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.2 OCCCF 010306 [1,0,0,0,0,0|2,0,0]=3 223 B4R0.2 OCCCI 002583 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.2 OCCCO 095066 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.2 SCCCCl 099136 [1,0,0,0,0,0|2,1,0]=4 226 B4R0.2 SCCCS 101936 [1,0,0,0,0,0|2,1,0]=4 227 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|2,0,0]=3 228 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|1,0,2]=4 229 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|3,0,0]=4 230 B6R0.1 CCCC(=O)OC 358407 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|3,0,0]=4 233 B6R0.1 CNC(=O)CCBr 104783 [0,1,0,0,0,0|3,0,0]=4 234 B6R0.1 COC(=O)CCBr 216315 [0,1,0,0,0,0|3,0,0]=4 235 B6R0.1 COC(=O)CCI 103108 [0,1,0,0,0,0|3,0,0]=4 236 B6R0.1 COC(=O)CCN 032703 [0,1,0,0,0,0|3,0,0]=4 237 B6R0.1 COC(=O)CCO 223297 [0,1,0,0,0,0|2,0,0]=3 238 B6R0.1 COC(=O)CCS 053164 [0,1,0,0,0,0|2,1,0]=4 239 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|2,0,0]=3 240 B6R0.1 O=C(CCl)NCO 242902 [0,1,0,0,0,0|3,0,0]=4 241 B6R0.1 OC(CBr)CCBr BR1637 [0,1,0,0,0,0|3,0,0]=4 242 B6R0.2 CC(=O)CC(C)C 044985 [0,1,0,0,0,0|1,0,2]=4 243 B6R0.2 CC(=O)CC(C)C 102383 [0,1,0,0,0,0|1,0,2]=4 244 B6R0.2 CC(C)=CB(O)O 016253 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.2 CC(C)=CC(=O)O 208603 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.2 CC(C)=NC(C)C 022053 [0,1,0,0,0,0|3,0,0]=4 247 B6R0.2 CC(C)CB(O)O 045297 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.2 CC(C)CC(=O)Cl 520885 [0,1,0,0,0,0|1,0,2]=4 249 B6R0.2 CC(C)CC(=O)O 242835 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.2 CC(C)CC(C)N 214337 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.2 CC(C)CC(C)O 242810 [0,1,0,0,0,0|1,0,0]=2 252 B6R0.2 CC(C)CC(N)=O 342138 [0,1,0,0,0,0|1,0,2]=4 253 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.2 CC(C)NC(C)C 005001 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.2 CC(C)NC(C)C 995001 [0,1,0,0,0,0|3,0,0]=4 256 B6R0.2 CC(C)SC(C)C 105009 [0,1,0,0,0,0|3,0,0]=4 257 B6R0.2 CC(Cl)CN(C)C 434039 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.2 CC(N)CC(=O)O 208617 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.2 CC(O)CN(C)C 092070 [0,1,0,0,0,0|0,0,0]=1 260 B6R0.2 CN(C)CC(=O)O 044353 [0,1,0,0,0,0|0,0,1]=2 261 B6R0.2 CN(C)CC(=O)O 216339 [0,1,0,0,0,0|0,0,1]=2 262 B6R0.2 CN(C)CN(C)C 464556 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,1,0,0,0,0|2,0,1]=4 264 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,1,0,0,0,0|2,0,1]=4 265 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.3 C=CC(=O)N(C)C 046781 [0,1,0,0,0,0|1,0,2]=4 267 B6R0.3 CC(C)C(=O)CBr 079016 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|1,0,0]=2 270 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|1,0,0]=2 271 B6R0.3 CC(C)\C(N)=N\O 061505 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.3 CCC(=O)C(C)C 386812 [0,1,0,0,0,0|2,0,1]=4 273 B6R0.3 CCC(=O)N(C)C 235586 [0,1,0,0,0,0|1,0,1]=3 274 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|3,0,0]=4 275 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.3 CN(C)C(=O)CBr 043801 [0,1,0,0,0,0|1,0,1]=3 277 B6R0.3 CN(C)C(=O)CCl 067830 [0,1,0,0,0,0|1,0,1]=3 278 B6R0.3 CN(C)C(=O)CN 463150 [0,1,0,0,0,0|1,0,1]=3 279 B6R0.3 CN(C)C(=S)NN 018641 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,1,0,0,0,0|3,0,0]=4 281 B6R0.3 NC(CO)C(=O)O 093750 [0,1,0,0,0,0|3,0,0]=4 282 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,1,0,0,0,0|3,0,0]=4 283 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,1,0,0,0,0|3,0,0]=4 284 B6R0.3 O=C(O)C(O)CO 143500 [0,1,0,0,0,0|3,0,0]=4 285 B6R0.4 C=C(C)CNCC 098963 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.4 C=CCCC(C)=O 358446 [0,1,0,0,0,0|3,0,0]=4 287 B6R0.4 C=COCC(C)C 103137 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.4 CC(=O)CCCCl 326218 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.4 CC(=O)CCCO 093373 [0,1,0,0,0,0|2,0,0]=3 290 B6R0.4 CC(=O)NCCN 226270 [0,1,0,0,0,0|3,0,0]=4 291 B6R0.4 CC(=O)NCCO 094790 [0,1,0,0,0,0|2,0,0]=3 292 B6R0.4 CC(=O)NCCS 106473 [0,1,0,0,0,0|2,1,0]=4 293 B6R0.4 CC(=O)OCCBr 024963 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.4 CC(=O)OCCO 046708 [0,1,0,0,0,0|2,0,0]=3 295 B6R0.4 CC(Br)CCCBr 001096 [0,1,0,0,0,0|3,0,0]=4 296 B6R0.4 CC(C)CN=C=O 044447 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.4 CC(C)CN=C=S 008985 [0,1,0,0,0,0|1,1,1]=4 298 B6R0.4 CC(C)CON=O 099090 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.4 CC(C)NCCO 069257 [0,1,0,0,0,0|1,0,0]=2 300 B6R0.4 CC(C)OCCO 150900 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.4 CC(O)CCCO 386330 [0,1,0,0,0,0|2,0,0]=3 302 B6R0.4 CCCCC(C)=O 098350 [0,1,0,0,0,0|3,0,0]=4 303 B6R0.4 CCCCC(C)N 214315 [0,1,0,0,0,0|3,0,0]=4 304 B6R0.4 CCCCN(C)C 115800 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.4 CCCC[C@@H](C)O 036116 [0,1,0,0,0,0|3,0,0]=4 306 B6R0.4 CCCNC(C)=O 099232 [0,1,0,0,0,0|3,0,0]=4 307 B6R0.4 CCCOC(C)=O 104128 [0,1,0,0,0,0|3,0,0]=4 308 B6R0.4 CN(C)CCC#N 044322 [0,1,0,0,0,0|1,0,0]=2 309 B6R0.4 CN(C)CCCBr 079586 [0,1,0,0,0,0|1,0,0]=2 310 B6R0.4 CN(C)CCCCl 240358 [0,1,0,0,0,0|1,0,0]=2 311 B6R0.4 CN(C)CCCN 094726 [0,1,0,0,0,0|1,0,0]=2 312 B6R0.4 CN(C)CCCO 242665 [0,1,0,0,0,0|0,0,0]=1 313 B6R0.4 CN(C)\C=C\C=O 044782 [0,1,0,0,0,0|0,0,3]=4 314 B6R0.4 CNCCC(C)C 321590 [0,1,0,0,0,0|2,0,0]=3 315 B6R0.4 CNCCN(C)C 236768 [0,1,0,0,0,0|1,0,0]=2 316 B6R0.4 COCCC(=O)Cl 014676 [0,1,0,0,0,0|3,0,0]=4 317 B6R0.4 COCCC(=O)O 091199 [0,1,0,0,0,0|3,0,0]=4 318 B6R0.4 COCCC(N)=O 091205 [0,1,0,0,0,0|3,0,0]=4 319 B6R0.4 NC(=O)NCCO 319865 [0,1,0,0,0,0|3,0,0]=4 320 B6R0.4 O=C([O-])CNCO 226097 [0,1,0,0,0,0|3,0,0]=4 321 B6R0.5 C=CC[Si](C)(C)C 005255 [0,1,0,0,0,0|2,0,1]=4 322 B6R0.5 C=CC[Si](C)(C)Cl S00225 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.5 CC(C)(Br)CCBr 105278 [0,1,0,0,0,0|2,0,0]=3 324 B6R0.5 CC(C)(C)CC=O 049850 [0,1,0,0,0,0|1,0,2]=4 325 B6R0.5 CC(C)(C)CCBr 240396 [0,1,0,0,0,0|2,0,0]=3 326 B6R0.5 CC(C)(C)CCI 104243 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.5 CC(C)(C)CCO 092664 [0,1,0,0,0,0|1,0,0]=2 328 B6R0.5 CC(C)(Cl)CCCl 106056 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.5 CC(C)(O)CC#N 372096 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.5 CC(C)(O)CCO 099109 [0,1,0,0,0,0|1,0,0]=2 331 B6R0.5 CCCC(C)(C)O 356177 [0,1,0,0,0,0|2,0,0]=3 332 B6R0.5 CCO[Si](C)(C)C S08635 [0,1,0,0,0,0|3,0,0]=4 333 B6R0.5 CCS[Si](C)(C)C 103431 [0,1,0,0,0,0|3,0,0]=4 334 B6R0.5 CNCC(C)(C)O 323417 [0,1,0,0,0,0|3,0,0]=4 335 B6R0.5 COCC(C)(C)N 044656 [0,1,0,0,0,0|3,0,0]=4 336 B6R0.5 COCC(C)(C)O 304271 [0,1,0,0,0,0|3,0,0]=4 337 B6R0.5 CS(=O)(=O)CCN 035902 [0,1,0,0,0,0|3,0,0]=4 338 B6R0.5 CS(=O)(=O)CCO 002961 [0,1,0,0,0,0|2,0,0]=3 339 B6R0.5 C[N+](C)(C)CCO 358031 [0,1,0,0,0,0|0,0,1]=2 340 B6R0.5 C[Si](C)(C)CCO S19375 [0,1,0,0,0,0|1,0,0]=2 341 B6R0.5 C[Si](C)(C)CCS S10370 [0,1,0,0,0,0|1,1,0]=3 342 B6R0.5 O=S(=O)([O-])CCO 225614 [0,1,0,0,0,0|3,0,0]=4 343 B6R0.5 OCCC(F)(F)F 001557 [0,1,0,0,0,0|3,0,0]=4 344 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|3,0,0]=4 345 B6R1.2 BrC1CCNC1 211447 [0,0,0,1,0,0|3,0,0]=4 346 B6R1.2 CC1=CCCC1 103763 [0,0,0,1,0,0|2,0,1]=4 347 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|2,0,0]=3 348 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|3,0,0]=4 349 B6R1.2 CN1CCCC1 046845 [0,0,0,1,0,0|1,0,0]=2 350 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|3,0,0]=4 351 B6R1.2 F[C@@H]1CCNC1 013156 [0,0,0,1,0,0|3,0,0]=4 352 B6R1.2 F[C@H]1CCNC1 013157 [0,0,0,1,0,0|3,0,0]=4 353 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|3,0,0]=4 354 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|3,0,0]=4 355 B6R1.2 NC1CCNC1 024526 [0,0,0,1,0,0|3,0,0]=4 356 B6R1.2 NC1CCOC1 208592 [0,0,0,1,0,0|2,0,0]=3 357 B6R1.2 O=C1CCCC1 044205 [0,0,0,1,0,0|3,0,0]=4 358 B6R1.2 O=C1CCNC1 078709 [0,0,0,1,0,0|3,0,0]=4 359 B6R1.2 O=C1CCOC1 076836 [0,0,0,1,0,0|2,0,0]=3 360 B6R1.2 O=C1CCSC1 214765 [0,0,0,1,0,0|2,1,0]=4 361 B6R1.2 O=S1CCCC1 001093 [0,0,0,1,0,0|3,0,0]=4 362 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|3,0,0]=4 363 B6R1.2 OC1CCNC1 011341 [0,0,0,1,0,0|3,0,0]=4 364 B6R1.2 OC1CCOC1 005327 [0,0,0,1,0,0|2,0,0]=3 365 B6R1.2 O[C@@H]1CCNC1 076549 [0,0,0,1,0,0|3,0,0]=4 366 B6R1.2 O[C@@H]1CCOC1 093765 [0,0,0,1,0,0|2,0,0]=3 367 B6R1.2 O[C@H]1CCNC1 011760 [0,0,0,1,0,0|3,0,0]=4 368 B6R1.2 O[C@H]1CCNC1 093058 [0,0,0,1,0,0|3,0,0]=4 369 B6R1.2 O[C@H]1CCOC1 078070 [0,0,0,1,0,0|2,0,0]=3 370 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|3,0,0]=4 371 B6R1.3 CNCC1CC1 065548 [0,0,0,1,0,0|3,0,0]=4 372 B6R1.3 N#CCC1CC1 003711 [0,0,0,1,0,0|2,0,1]=4 373 B6R1.3 OCCN1CC1 216355 [0,0,0,1,0,0|0,0,0]=1 374 B6R1.10 CC1(N)CCC1 041889 [0,0,0,1,0,0|3,0,0]=4 375 B6R1.11 CC(=O)C1CC1 005112 [0,0,0,1,0,0|3,0,0]=4 376 B6R1.11 CC(N)C1CC1 095360 [0,0,0,1,0,0|3,0,0]=4 377 B6R1.11 CC(O)C1CC1 354573 [0,0,0,1,0,0|3,0,0]=4 378 B3R0.1 BrCCBr 050675 [2,0,0,0,0,0|2,0,0]=4 379 B3R0.1 C#CCN 046876 [2,0,0,0,0,0|1,0,1]=4 380 B3R0.1 C#CCN 062949 [2,0,0,0,0,0|1,0,1]=4 381 B3R0.1 C#CCO 167200 [2,0,0,0,0,0|0,0,2]=4 382 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|1,0,1]=4 383 B3R0.1 C=CCN 099131 [2,0,0,0,0,0|1,0,1]=4 384 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|0,0,2]=4 385 B3R0.1 CC#CC 117205 [2,0,0,0,0,0|1,0,1]=4 386 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 387 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,2]=4 388 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,0]=3 389 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,0]=3 390 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,0]=3 391 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,0]=2 392 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,0]=2 393 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,0]=3 394 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,0]=3 395 B3R0.1 CCNC 044624 [2,0,0,0,0,0|0,0,0]=2 396 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 397 B3R0.1 CNC=O 098971 [2,0,0,0,0,0|0,0,2]=4 398 B3R0.1 CNNC 446438 [2,0,0,0,0,0|1,0,0]=3 399 B3R0.1 CNOC 023913 [2,0,0,0,0,0|1,0,0]=3 400 B3R0.1 COCBr 005432 [2,0,0,0,0,0|2,0,0]=4 401 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|2,0,0]=4 402 B3R0.1 CSSC 094878 [2,0,0,0,0,0|2,0,0]=4 403 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|1,0,1]=4 404 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|1,0,1]=4 405 B3R0.1 C\C=N\O 102319 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.1 C\C=N\O 358241 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 ClCCBr BR1051 [2,0,0,0,0,0|2,0,0]=4 408 B3R0.1 ClCCCl 043318 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 ClCCCl 102594 [2,0,0,0,0,0|2,0,0]=4 410 B3R0.1 ClCCI 001485 [2,0,0,0,0,0|2,0,0]=4 411 B3R0.1 FCCI 095367 [2,0,0,0,0,0|2,0,0]=4 412 B3R0.1 ICCI 103493 [2,0,0,0,0,0|2,0,0]=4 413 B3R0.1 N#CCN 079136 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.1 NCCBr 078524 [2,0,0,0,0,0|1,0,0]=3 415 B3R0.1 NCCCl 119280 [2,0,0,0,0,0|1,0,0]=3 416 B3R0.1 NCCCl 362131 [2,0,0,0,0,0|1,0,0]=3 417 B3R0.1 NCCF 078652 [2,0,0,0,0,0|1,0,0]=3 418 B3R0.1 NCCF 364319 [2,0,0,0,0,0|1,0,0]=3 419 B3R0.1 NCCN 043401 [2,0,0,0,0,0|1,0,0]=3 420 B3R0.1 NCCN 105894 [2,0,0,0,0,0|1,0,0]=3 421 B3R0.1 NCCN 139700 [2,0,0,0,0,0|1,0,0]=3 422 B3R0.1 NCCO 043400 [2,0,0,0,0,0|0,0,0]=2 423 B3R0.1 NCCO 103645 [2,0,0,0,0,0|0,0,0]=2 424 B3R0.1 NCCO 492434 [2,0,0,0,0,0|0,0,0]=2 425 B3R0.1 NCCS 003420 [2,0,0,0,0,0|0,1,0]=3 426 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,0,0]=3 427 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,0,0]=3 428 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,0,0]=3 429 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,0,0]=3 430 B3R0.1 OCCO 044710 [2,0,0,0,0,0|1,0,0]=3 431 B3R0.1 OCCS 003836 [2,0,0,0,0,0|1,0,0]=3 432 B3R0.1 SCCS M03555 [2,0,0,0,0,0|1,1,0]=4 433 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 434 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|1,0,1]=4 435 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|0,0,2]=4 436 B3R0.2 CB(O)O 214665 [2,0,0,0,0,0|2,0,0]=4 437 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|2,0,0]=4 438 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|2,0,0]=4 439 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|2,0,0]=4 440 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|2,0,0]=4 441 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|2,0,0]=4 442 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|2,0,0]=4 443 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|2,0,0]=4 444 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|2,0,0]=4 445 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|2,0,0]=4 446 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|1,0,1]=4 448 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|1,0,1]=4 449 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|1,0,1]=4 450 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|1,0,1]=4 452 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|2,0,0]=4 453 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|2,0,0]=4 454 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|2,0,0]=4 455 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|2,0,0]=4 456 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|2,0,0]=4 457 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|2,0,0]=4 458 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|1,0,0]=3 459 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|1,0,0]=3 460 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|1,0,0]=3 461 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|1,0,0]=3 462 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|1,0,0]=3 463 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|1,1,0]=4 464 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|1,0,1]=4 465 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|1,0,1]=4 466 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|1,1,0]=4 467 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|0,0,0]=2 468 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|0,0,0]=2 469 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|0,0,0]=2 470 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|0,0,0]=2 471 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|0,0,0]=2 472 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|0,0,0]=2 473 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|0,0,0]=2 474 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|1,0,0]=3 475 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|0,0,0]=2 476 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|0,1,0]=3 477 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,1]=4 478 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,1]=4 479 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,1]=4 480 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|1,0,0]=3 481 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|2,0,0]=4 482 B5R0.3 C=C(CO)CO 079496 [1,1,0,0,0,0|1,0,1]=4 483 B5R0.3 CC(CBr)CBr 229847 [1,1,0,0,0,0|2,0,0]=4 484 B5R0.3 CC(CCl)CBr 239837 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.3 CC(CO)CO 242900 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.3 CCC(=O)CBr 002514 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.3 CCC(=O)CC 094591 [1,1,0,0,0,0|2,0,0]=4 488 B5R0.3 CCC(=O)NC 103047 [1,1,0,0,0,0|2,0,0]=4 489 B5R0.3 CCC(Br)CC 358240 [1,1,0,0,0,0|2,0,0]=4 490 B5R0.3 CCC(C)C=O 103622 [1,1,0,0,0,0|1,0,1]=4 491 B5R0.3 CCC(C)CC 098988 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.3 CCC(C)CN 013636 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.3 CCC(C)CO 358145 [1,1,0,0,0,0|1,0,0]=3 494 B5R0.3 CCC(C)NN 046283 [1,1,0,0,0,0|2,0,0]=4 495 B5R0.3 CCC(N)CC 094499 [1,1,0,0,0,0|2,0,0]=4 496 B5R0.3 CCC(N)CO 091481 [1,1,0,0,0,0|2,0,0]=4 497 B5R0.3 CCC(O)CC 358049 [1,1,0,0,0,0|2,0,0]=4 498 B5R0.3 CCC(O)CN 002496 [1,1,0,0,0,0|2,0,0]=4 499 B5R0.3 CCN(C)CC 493739 [1,1,0,0,0,0|0,0,0]=2 500 B5R0.3 CCN(O)CC 105777 [1,1,0,0,0,0|1,0,0]=3 501 B5R0.3 CCN(O)CC 129600 [1,1,0,0,0,0|1,0,0]=3 502 B5R0.3 CCS(=O)CC 094782 [1,1,0,0,0,0|2,0,0]=4 503 B5R0.3 CC[C@@H](N)CO 012703 [1,1,0,0,0,0|2,0,0]=4 504 B5R0.3 CC[C@H](C)CO 473128 [1,1,0,0,0,0|1,0,0]=3 505 B5R0.3 CC[C@H](N)CO 012704 [1,1,0,0,0,0|2,0,0]=4 506 B5R0.3 CC\C(C)=N\O 099127 [1,1,0,0,0,0|2,0,0]=4 507 B5R0.3 COC(=O)CO 227696 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.3 COC(C)OC 104486 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.3 NC(CO)CO 043594 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.3 NCC(O)CO 093744 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.3 NC[C@@H](O)CO 036807 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.3 O=C(CO)CO 093516 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.3 OCC(O)CCl 242924 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.3 OCC(O)CO 094580 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.3 OCC(O)CO 102072 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.3 OCC(O)CO 104202 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.3 OCC(O)CS 104512 [1,1,0,0,0,0|2,0,0]=4 518 B5R0.3 OC[C@@H](O)CCl 079187 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|2,0,0]=4 522 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|1,0,0]=3 523 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|2,0,0]=4 524 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|2,0,0]=4 525 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|1,0,0]=3 526 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|2,0,0]=4 527 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|2,0,0]=4 528 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|1,0,0]=3 529 B5R0.4 CC(F)(F)CO 034700 [1,1,0,0,0,0|2,0,0]=4 530 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|1,0,0]=3 532 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|1,0,0]=3 533 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|1,0,0]=3 534 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|1,0,0]=3 535 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|1,0,0]=3 536 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|1,0,0]=3 537 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|1,0,0]=3 538 B5R0.4 CC[Si](C)(C)Cl 005276 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.4 CNC(C)(C)C 024302 [1,1,0,0,0,0|2,0,0]=4 540 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|2,0,0]=4 541 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|2,0,0]=4 542 B5R0.4 COC(C)(C)C 099538 [1,1,0,0,0,0|2,0,0]=4 543 B5R0.4 CO[Si](C)(C)C S10974 [1,1,0,0,0,0|2,0,0]=4 544 B5R0.4 C[Si](C)(C)CBr S02925 [1,1,0,0,0,0|2,0,0]=4 545 B5R0.4 C[Si](C)(C)CCl S04425 [1,1,0,0,0,0|2,0,0]=4 546 B5R0.4 C[Si](C)(C)CI S10025 [1,1,0,0,0,0|2,0,0]=4 547 B5R0.4 C[Si](C)(Cl)CBr S02900 [1,1,0,0,0,0|2,0,0]=4 548 B5R0.4 C[Si](C)(Cl)CCl 005267 [1,1,0,0,0,0|2,0,0]=4 549 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|1,0,1]=4 550 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|2,0,0]=4 551 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|2,0,0]=4 552 B5R0.5 CC(=O)N(C)C 044923 [1,1,0,0,0,0|0,0,1]=3 553 B5R0.5 CC(=O)N(C)C 103880 [1,1,0,0,0,0|0,0,1]=3 554 B5R0.5 CC(=O)N(C)C 105121 [1,1,0,0,0,0|0,0,1]=3 555 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|2,0,0]=4 556 B5R0.5 CC(C)=C(C)C 358426 [1,1,0,0,0,0|1,0,1]=4 557 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|2,0,0]=4 558 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|1,0,0]=3 560 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|0,0,0]=2 561 B5R0.5 CN(C)C(=N)N 094628 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.5 CN(C)C(=O)Cl 051099 [1,1,0,0,0,0|0,0,2]=4 563 B5R0.5 CN(C)C(=S)Cl 101947 [1,1,0,0,0,0|0,1,1]=4 564 B5R0.5 CN(C)C(=S)[S-] 180453 [1,1,0,0,0,0|0,1,1]=4 565 B5R0.5 CN(C)C(N)=O 342088 [1,1,0,0,0,0|0,0,2]=4 566 B5R0.5 CN(C)C(N)=S 369470 [1,1,0,0,0,0|0,1,1]=4 567 B5R0.5 CN(C)N(C)C 062214 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.5 CN(C)[SiH](C)C S07525 [1,1,0,0,0,0|0,1,0]=3 569 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|2,0,0]=4 570 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|2,0,0]=4 571 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|2,0,0]=4 572 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|2,0,0]=4 573 B5R0.2 BrCCCCBr 004638 [1,1,0,0,0,0|2,0,0]=4 574 B5R0.2 C#CCCCC 098932 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.2 C#CCCCO 164406 [1,1,0,0,0,0|1,0,1]=4 576 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|2,0,0]=4 577 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|1,0,1]=4 578 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|1,0,0]=3 579 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|1,0,1]=4 580 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|2,0,0]=4 581 B5R0.2 CC#CCCO 010354 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.2 CCC#CCO 164400 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.2 CCCCC#N 386692 [1,1,0,0,0,0|2,0,0]=4 584 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|2,0,0]=4 587 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|2,0,0]=4 589 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|2,0,0]=4 592 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|2,0,0]=4 593 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|1,0,0]=3 594 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|1,0,0]=3 595 B5R0.2 CCCCNN 324841 [1,1,0,0,0,0|2,0,0]=4 596 B5R0.2 CCCC[Zn]Br 213843 [1,1,0,0,0,0|2,0,0]=4 597 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|1,0,0]=3 598 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|0,0,0]=2 600 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|2,0,0]=4 601 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|2,0,0]=4 602 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|1,0,0]=3 603 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|2,0,0]=4 604 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|2,0,0]=4 605 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|1,0,0]=3 606 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|1,0,1]=4 607 B5R0.2 CNCCC#N 242856 [1,1,0,0,0,0|1,0,0]=3 608 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|1,0,0]=3 609 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|0,0,0]=2 610 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|1,0,0]=3 611 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|0,0,0]=2 612 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|2,0,0]=4 613 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|2,0,0]=4 614 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|2,0,0]=4 615 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|1,0,0]=3 616 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|1,0,0]=3 617 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|1,0,0]=3 618 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|1,0,1]=4 619 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|2,0,0]=4 620 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|1,0,0]=3 621 B5R0.2 ClCCCCBr 235481 [1,1,0,0,0,0|2,0,0]=4 622 B5R0.2 ClCCCCCl 099062 [1,1,0,0,0,0|2,0,0]=4 623 B5R0.2 ClCCCCI 242676 [1,1,0,0,0,0|2,0,0]=4 624 B5R0.2 FCCCCBr 001725 [1,1,0,0,0,0|2,0,0]=4 625 B5R0.2 ICCCCI 239851 [1,1,0,0,0,0|2,0,0]=4 626 B5R0.2 NCCCCBr 227649 [1,1,0,0,0,0|2,0,0]=4 627 B5R0.2 NCCCCN 098368 [1,1,0,0,0,0|2,0,0]=4 628 B5R0.2 NCCCCO 036678 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.2 OCC#CCO 009074 [1,1,0,0,0,0|1,0,1]=4 630 B5R0.2 OCCCCBr 036997 [1,1,0,0,0,0|1,0,0]=3 631 B5R0.2 OCCCCCl 097634 [1,1,0,0,0,0|1,0,0]=3 632 B5R0.2 OC\C=C/CO 095819 [1,1,0,0,0,0|1,0,1]=4 633 B5R0.2 OC\C=C/CO 098937 [1,1,0,0,0,0|1,0,1]=4 634 B5R0.2 SCCCCS 102622 [1,1,0,0,0,0|1,1,0]=4 635 B5R0.2 [C-]#[N+]CCCC 021027 [1,1,0,0,0,0|2,0,0]=4 636 B5R0.2 [N-]=[N+]=NCCO 062213 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.2 CC(C)C[C@H](N)CO M03441 [0,2,0,0,0,0|1,0,0]=3 638 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|1,0,1]=4 639 B7R0.2 CN(C)CC(O)CO 077998 [0,2,0,0,0,0|0,0,0]=2 640 B7R0.2 COC(=O)CC(C)C 046834 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.2 COC(=O)CN(C)C 099922 [0,2,0,0,0,0|0,0,1]=3 642 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.3 CC(CN)CCCN 098814 [0,2,0,0,0,0|2,0,0]=4 645 B7R0.3 CCC(=O)NCCO 402339 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.3 COCCC(=O)OC 349308 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.5 CN(C)C(=O)CCCl 310539 [0,2,0,0,0,0|1,0,0]=3 648 B7R0.7 C=CCN(C)CC=C 468301 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.7 CN(CCO)CCO 358284 [0,2,0,0,0,0|0,0,0]=2 650 B7R0.10 CCC(=O)N(C)OC 306492 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.10 CCN(C)C(=O)CBr 075255 [0,2,0,0,0,0|1,0,1]=4 652 B7R0.10 CCN(C)C(=O)CCl 080286 [0,2,0,0,0,0|1,0,1]=4 653 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.10 CON(C)C(=O)CCl 230712 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.10 OC[C@H](O)[C@H](O)CO 003436 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.11 CCS(=O)(=O)CCO 003464 [0,2,0,0,0,0|2,0,0]=4 659 B7R0.11 COC(C)(C)CCO 242746 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.12 C#CCN(CC)CC 129200 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.12 C=CCN(CC)CC 098907 [0,2,0,0,0,0|1,0,1]=4 662 B7R0.12 CCN(CC)CCBr 386920 [0,2,0,0,0,0|1,0,0]=3 663 B7R0.12 CCN(CC)CCCl 094441 [0,2,0,0,0,0|1,0,0]=3 664 B7R0.12 CCN(CC)CCN 236769 [0,2,0,0,0,0|1,0,0]=3 665 B7R0.12 CCN(CC)CCO 098859 [0,2,0,0,0,0|0,0,0]=2 666 B7R0.12 CCN(CC)CCO 099634 [0,2,0,0,0,0|0,0,0]=2 667 B7R0.12 CCN(CC)CCS 099179 [0,2,0,0,0,0|0,1,0]=3 668 B7R0.12 COC(CCBr)OC 046744 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.9 CC(C)(C)CC(=O)O 078718 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.9 CC(C)(C)CC(Cl)Cl 103313 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.9 CC(C)(N)CC(=O)O 023437 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.9 CC(C)CC(C)(C)C 005420 [0,2,0,0,0,0|2,0,0]=4 673 B7R0.9 CC(C)CC(C)(C)C 101606 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.16 CC(Br)C(=O)N(C)C 310622 [0,2,0,0,0,0|1,0,1]=4 675 B7R0.16 CC(C)C(=O)N(C)C 005868 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,2,0,0,0,0|1,0,1]=4 677 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.16 CC(C)C(N)C(C)C 214339 [0,2,0,0,0,0|2,0,0]=4 679 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|1,0,1]=4 680 B7R0.16 CC(C)C(O)C(C)C 342202 [0,2,0,0,0,0|2,0,0]=4 681 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,2,0,0,0,0|1,0,1]=4 682 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,2,0,0,0,0|1,0,1]=4 683 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.16 CC(Cl)C(=O)N(C)C 103466 [0,2,0,0,0,0|1,0,1]=4 685 B7R0.16 CN(C)C(=O)C(=O)O 023520 [0,2,0,0,0,0|0,0,2]=4 686 B7R0.14 CC(C)(C)C(O)CO 105040 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.14 CC(C)(C)[C@H](N)CO 208674 [0,2,0,0,0,0|1,0,0]=3 688 B7R0.14 CC(CO)C(C)(C)C 102491 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.14 CCC(O)C(C)(C)C 106616 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.15 COC(OC)N(C)C 005030 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.4 CC(C)CCNC=O 104304 [0,2,0,0,0,0|1,0,1]=4 692 B7R0.4 CC(C)CCON=O 046832 [0,2,0,0,0,0|1,0,0]=3 693 B7R0.4 CC(C)CNCCN 104760 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.4 CC(C)OCCCN 520884 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.4 CCNCCN(C)C 402341 [0,2,0,0,0,0|1,0,0]=3 696 B7R0.4 CN(C)CCCC#N 217818 [0,2,0,0,0,0|1,0,0]=3 697 B7R0.4 CN(C)CCCCN 019580 [0,2,0,0,0,0|1,0,0]=3 698 B7R0.4 CNCCCN(C)C 065099 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.4 CNCCNC(C)C 024580 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.4 COCCNC(C)C 013931 [0,2,0,0,0,0|1,0,0]=3 701 B7R0.6 CC(=O)CCC(=O)O 079484 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.6 CC(=O)CCC(C)C 106440 [0,2,0,0,0,0|1,0,1]=4 703 B7R0.6 CC(=O)CCN(C)C 043224 [0,2,0,0,0,0|0,0,1]=3 704 B7R0.6 CC(C)SCC(=O)O 311009 [0,2,0,0,0,0|1,0,1]=4 705 B7R0.6 CC(O)CCC(C)O 241359 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.6 CN(C)CCC(=O)O 046799 [0,2,0,0,0,0|0,0,0]=2 707 B7R0.6 CN(C)CCN(C)C 023278 [0,2,0,0,0,0|1,0,0]=3 708 B7R0.6 CN(C)CCN(C)C 102583 [0,2,0,0,0,0|1,0,0]=3 709 B7R0.6 CN(C)CCN(C)C 104582 [0,2,0,0,0,0|1,0,0]=3 710 B7R0.6 C[N-](C)CC[N-](C)C 466866 [0,2,0,0,0,0|1,0,0]=3 711 B7R0.8 CC(C)(C)NCCCl 098591 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.8 CC(C)(C)NCCO 116000 [0,2,0,0,0,0|1,0,0]=3 713 B7R0.8 CC(C)(C)OCCO 139800 [0,2,0,0,0,0|1,0,0]=3 714 B7R0.8 CC(C)(C)SCCN 018341 [0,2,0,0,0,0|2,0,0]=4 715 B7R0.8 CCCC[Si](C)(C)Cl 005254 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.8 CNCCC(C)(C)C 104302 [0,2,0,0,0,0|2,0,0]=4 717 B7R0.8 CS(=O)(=O)CCCO 233969 [0,2,0,0,0,0|2,0,0]=4 718 B7R0.8 C[N+](C)(C)CCCBr 242798 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.8 C[Si](C)(C)C#CCO S20100 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.8 C[Si](C)(C)OCCCl S03850 [0,2,0,0,0,0|2,0,0]=4 721 B5R1.2 BrC1COC1 107040 [1,0,0,1,0,0|2,0,0]=4 722 B5R1.2 BrC1COC1 223475 [1,0,0,1,0,0|2,0,0]=4 723 B5R1.2 IC1COC1 242158 [1,0,0,1,0,0|2,0,0]=4 724 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|2,0,0]=4 725 B5R1.2 NC1COC1 320095 [1,0,0,1,0,0|2,0,0]=4 726 B5R1.2 O=C1CCC1 033237 [1,0,0,1,0,0|2,0,0]=4 727 B5R1.2 O=C1COC1 044814 [1,0,0,1,0,0|2,0,0]=4 728 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|2,0,0]=4 729 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|2,0,0]=4 730 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|2,0,0]=4 731 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|2,0,0]=4 732 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|2,0,0]=4 733 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|2,0,0]=4 734 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|2,0,0]=4 735 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|2,0,0]=4 736 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|1,0,0]=3 737 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|2,0,0]=4 738 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|2,0,0]=4 739 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|2,0,0]=4 740 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|1,0,0]=3 741 B5R1.1 C1=CCNC1 013932 [1,0,0,1,0,0|1,0,1]=4 742 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|1,0,1]=4 743 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|1,0,0]=3 744 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|1,0,0]=3 745 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|1,0,0]=3 746 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|1,0,0]=3 747 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|1,0,0]=3 748 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|1,0,0]=3 749 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|1,0,0]=3 750 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|1,0,0]=3 751 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|1,0,0]=3 752 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|1,0,0]=3 753 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|1,1,0]=4 754 B5R1.1 C1COCO1 098850 [1,0,0,1,0,0|1,0,0]=3 755 B5R1.1 C1CSCN1 243195 [1,0,0,1,0,0|0,1,0]=3 756 B7R1.1 BrCC1CCCC1 036984 [0,1,0,1,0,0|2,0,0]=4 757 B7R1.1 C(=O)N1CCCC1 341911 [0,1,0,1,0,0|1,0,1]=4 758 B7R1.1 CNC1CCCC1 024973 [0,1,0,1,0,0|2,0,0]=4 759 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|2,0,0]=4 760 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|2,0,0]=4 761 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|2,0,0]=4 762 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|1,0,0]=3 763 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|1,0,0]=3 764 B7R1.2 CN1CCC(O)C1 040009 [0,1,0,1,0,0|0,0,0]=2 765 B7R1.2 CN1CC[C@H](O)C1 092713 [0,1,0,1,0,0|0,0,0]=2 766 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|2,0,0]=4 767 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|2,0,0]=4 768 B7R1.2 OC1CCC(O)C1 501728 [0,1,0,1,0,0|2,0,0]=4 769 B7R1.3 BN1CCOCC1 102048 [0,1,0,1,0,0|1,0,0]=3 770 B7R1.3 BrC1CCOCC1 077342 [0,1,0,1,0,0|2,0,0]=4 771 B7R1.3 CC1=CCCCC1 098887 [0,1,0,1,0,0|2,0,0]=4 772 B7R1.3 CC1CCCCC1 013924 [0,1,0,1,0,0|2,0,0]=4 773 B7R1.3 CC1CCCCN1 098820 [0,1,0,1,0,0|2,0,0]=4 774 B7R1.3 CC1CCCNC1 095841 [0,1,0,1,0,0|2,0,0]=4 775 B7R1.3 CC1CCNCC1 005025 [0,1,0,1,0,0|2,0,0]=4 776 B7R1.3 CC1CCNCC1 106043 [0,1,0,1,0,0|2,0,0]=4 777 B7R1.3 CC1CNCCN1 023229 [0,1,0,1,0,0|2,0,0]=4 778 B7R1.3 CC1CNCCO1 075555 [0,1,0,1,0,0|2,0,0]=4 779 B7R1.3 CC1COCCN1 093767 [0,1,0,1,0,0|1,0,0]=3 780 B7R1.3 CN1CCCCC1 098869 [0,1,0,1,0,0|1,0,0]=3 781 B7R1.3 CN1CCNCC1 022134 [0,1,0,1,0,0|1,0,0]=3 782 B7R1.3 CN1CCNCC1 104603 [0,1,0,1,0,0|1,0,0]=3 783 B7R1.3 CN1CCNCC1 320129 [0,1,0,1,0,0|1,0,0]=3 784 B7R1.3 CN1CCOCC1 043444 [0,1,0,1,0,0|0,0,0]=2 785 B7R1.3 CN1CCOCC1 104657 [0,1,0,1,0,0|0,0,0]=2 786 B7R1.3 C[C@@H]1CNCCN1 011823 [0,1,0,1,0,0|2,0,0]=4 787 B7R1.3 C[C@H]1CNCCN1 011818 [0,1,0,1,0,0|2,0,0]=4 788 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,1,0,0|2,0,0]=4 789 B7R1.3 IC1CCOCC1 067477 [0,1,0,1,0,0|2,0,0]=4 790 B7R1.3 NC1CCCOC1 041901 [0,1,0,1,0,0|2,0,0]=4 791 B7R1.3 NC1CCOCC1 023514 [0,1,0,1,0,0|2,0,0]=4 792 B7R1.3 NC1CCOCC1 043887 [0,1,0,1,0,0|2,0,0]=4 793 B7R1.3 NN1CCCCC1 235886 [0,1,0,1,0,0|2,0,0]=4 794 B7R1.3 NN1CCOCC1 064992 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.3 O=C1CCCOC1 070460 [0,1,0,1,0,0|2,0,0]=4 796 B7R1.3 O=C1CCOCC1 036435 [0,1,0,1,0,0|2,0,0]=4 797 B7R1.3 O=C1COCCN1 038232 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.3 O=C1COCCO1 242965 [0,1,0,1,0,0|2,0,0]=4 799 B7R1.3 OC1CCCOC1 047681 [0,1,0,1,0,0|2,0,0]=4 800 B7R1.3 OC1CCOCC1 068764 [0,1,0,1,0,0|2,0,0]=4 801 B7R1.3 OC1COCOC1 069030 [0,1,0,1,0,0|2,0,0]=4 802 B7R1.4 CC1CCOC1=O 092467 [0,1,0,1,0,0|1,0,1]=4 803 B7R1.4 CC1OCCC1S 358069 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.4 CN1CCCC1=O 035918 [0,1,0,1,0,0|1,0,1]=4 805 B7R1.4 CN1CCCC1=O 041934 [0,1,0,1,0,0|1,0,1]=4 806 B7R1.4 CN1CCCC1=S 180035 [0,1,0,1,0,0|1,0,1]=4 807 B7R1.4 CN1CCNC1=O 091683 [0,1,0,1,0,0|1,0,1]=4 808 B7R1.4 O[C@H]1COC[C@H]1O 319812 [0,1,0,1,0,0|2,0,0]=4 809 B7R1.22 COC(=O)[C@H]1CO1 225417 [0,1,0,1,0,0|2,0,0]=4 810 B7R1.22 [C@@H]1(C(=O)OC)CO1 493582 [0,1,0,1,0,0|2,0,0]=4 811 B7R1.20 O=C(O)CC1CC1 003710 [0,1,0,1,0,0|1,0,1]=4 812 B7R1.23 OCC1CC1(F)F 024174 [0,1,0,1,0,0|2,0,0]=4 813 B7R1.14 CC1(C)COCN1 535769 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.14 CC1(C)NCCS1 077828 [0,1,0,1,0,0|1,1,0]=4 815 B7R1.14 CC1(C)OCCO1 103483 [0,1,0,1,0,0|1,0,0]=3 816 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|2,0,0]=4 817 B7R2.13 C1OCC2OC12 091902 [0,0,0,2,0,0|2,0,0]=4 818 B7R2.5 NC12CC(C1)C2 098697 [0,0,0,2,0,0|2,0,0]=4