0 B5R0.1 C#CCC(C)C 104535 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C#CCC(C)O 532537 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C=C(C)CCBr 223736 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C=C(C)CCO 358461 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.1 C=C(C)OCC 471668 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.1 C=CCC(C)C 106337 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(=O)CCCl 069833 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 CC(=O)CCO 358442 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.1 CC(=O)NCO 430081 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(Br)CCBr BR1240 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 CC(C)=CC=O 386384 [0,0,0,0,0,0|0,0,4]=4 11 B5R0.1 CC(C)=CCBr 053316 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.1 CC(C)=CCCl 349314 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 CC(C)=CCO 358414 [0,0,0,0,0,0|0,0,2]=2 14 B5R0.1 CC(C)CC#N 386919 [0,0,0,0,0,0|1,0,1]=2 15 B5R0.1 CC(C)CC=O 094970 [0,0,0,0,0,0|0,0,2]=2 16 B5R0.1 CC(C)CCBr BR1353 [0,0,0,0,0,0|1,0,0]=1 17 B5R0.1 CC(C)CCI 046949 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.1 CC(C)CCN 097749 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 CC(C)CCO 097704 [0,0,0,0,0,0|0,0,0]=0 20 B5R0.1 CC(C)CCO 103352 [0,0,0,0,0,0|0,0,0]=0 21 B5R0.1 CC(C)CCS 358459 [0,0,0,0,0,0|0,1,0]=1 22 B5R0.1 CC(C)CNN 023508 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.1 CC(C)N=C=S 008986 [0,0,0,0,0,0|1,1,1]=3 24 B5R0.1 CC(C)NC=O 103706 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 CC(C)SC#N 005915 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 CC(O)CCO 099380 [0,0,0,0,0,0|1,0,0]=1 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|3,0,1]=4 29 B5R0.1 CCCC(=O)O 102473 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CCCC(C)Br 024476 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 CCCC(C)Br BR1101 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 CCCC(C)C 098758 [0,0,0,0,0,0|1,0,0]=1 33 B5R0.1 CCCC(C)N 097754 [0,0,0,0,0,0|2,0,0]=2 34 B5R0.1 CCCC(C)O 099024 [0,0,0,0,0,0|2,0,0]=2 35 B5R0.1 CCCC(C)S 070734 [0,0,0,0,0,0|2,0,0]=2 36 B5R0.1 CCCC(N)=O 356018 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CCC[C@H](C)O 036089 [0,0,0,0,0,0|2,0,0]=2 38 B5R0.1 CCC[N+](=O)[O-] 520877 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.1 CCNC(C)C 057128 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 CCOC(C)=N 239394 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 CCOC(C)=O 035909 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 CCOC(C)=O 099553 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 CCOC(C)=O 099895 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 CN(C)CCBr 077959 [0,0,0,0,0,0|2,0,0]=2 45 B5R0.1 CN(C)CCCl 077638 [0,0,0,0,0,0|2,0,0]=2 46 B5R0.1 CN(C)CCN 043851 [0,0,0,0,0,0|2,0,0]=2 47 B5R0.1 CN(C)CCO 044665 [0,0,0,0,0,0|1,0,0]=1 48 B5R0.1 CN(C)CCS 450419 [0,0,0,0,0,0|1,1,0]=2 49 B5R0.1 CNCC(C)C 047078 [0,0,0,0,0,0|2,0,0]=2 50 B5R0.1 COCC(C)=O 002450 [0,0,0,0,0,0|3,0,1]=4 51 B5R0.1 COCC(C)N 402335 [0,0,0,0,0,0|3,0,0]=3 52 B5R0.1 COCC(C)O 093985 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.1 COC[C@@H](C)N 079780 [0,0,0,0,0,0|3,0,0]=3 54 B5R0.1 COC[C@@H](C)O 036090 [0,0,0,0,0,0|3,0,0]=3 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|1,0,0]=1 57 B5R0.1 C[C@@H](O)CCO 041923 [0,0,0,0,0,0|1,0,0]=1 58 B5R0.1 C[C@H](N)CCO 092789 [0,0,0,0,0,0|1,0,0]=1 59 B5R0.1 C[C@H](O)CCO 041922 [0,0,0,0,0,0|1,0,0]=1 60 B5R0.1 NC(=O)CCBr 456436 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 NC(=O)CCCl 180018 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 NCCC(=O)O 044720 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 NCCC(N)=O 221578 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 O=C(Cl)CCBr 104627 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 O=C(Cl)CCCl 095162 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 O=C(O)CCBr 003025 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 O=C(O)CCCl 242740 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 O=C(O)CCI 003069 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 O=C(O)CCO 147100 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.1 O=C(O)CCS 094485 [0,0,0,0,0,0|2,1,1]=4 71 B5R0.1 O=[N+]([O-])CCO 358303 [0,0,0,0,0,0|3,0,0]=3 72 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|0,0,2]=3 73 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|1,0,2]=4 76 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|1,0,2]=4 77 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|0,0,2]=3 79 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|0,1,2]=4 80 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|1,0,2]=4 82 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|1,0,2]=4 83 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CC(=O)NO 078547 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|1,0,1]=3 91 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|0,0,2]=3 92 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|0,0,2]=3 93 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|1,0,0]=2 94 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|0,0,0]=1 97 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|0,1,0]=2 98 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|2,0,0]=3 99 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|1,0,0]=2 100 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|2,0,0]=3 101 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|2,0,0]=3 102 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|2,0,0]=3 103 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|2,0,0]=3 104 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 105 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,0]=3 106 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,0]=3 107 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|2,0,0]=3 109 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|2,0,0]=3 110 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|1,0,0]=2 111 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|0,0,2]=3 112 B4R0.1 CCB(O)O 065613 [1,0,0,0,0,0|3,0,0]=4 113 B4R0.1 CCC(=O)Br BR1194 [1,0,0,0,0,0|2,0,1]=4 114 B4R0.1 CCC(=O)Cl 098881 [1,0,0,0,0,0|2,0,1]=4 115 B4R0.1 CCC(=O)O 098214 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.1 CCC(=O)O 104856 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.1 CCC(=O)[O-] 105990 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.1 CCC(=O)[O-] 106505 [1,0,0,0,0,0|2,0,1]=4 119 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|1,0,1]=3 122 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|1,0,1]=3 123 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|1,0,0]=2 124 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|0,0,0]=1 125 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|1,0,0]=2 127 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|1,0,0]=2 129 B4R0.1 CCC(N)=O 069325 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|1,0,0]=2 131 B4R0.1 CCS(=O)[O-] 035597 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|1,0,0]=2 133 B4R0.1 CN(C)C#N 099034 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|1,0,2]=4 135 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|1,0,2]=4 136 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|1,0,2]=4 137 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|1,0,2]=4 138 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|1,0,2]=4 139 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|1,1,1]=4 140 B4R0.1 CNC(C)=O 154700 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|1,0,0]=2 142 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|2,0,0]=3 143 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.1 COC(Cl)Cl 239032 [1,0,0,0,0,0|3,0,0]=4 145 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|1,1,0]=3 146 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|1,0,0]=2 147 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|2,0,0]=3 148 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|1,0,0]=2 149 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|1,0,0]=2 150 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|2,0,0]=3 151 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|1,0,0]=2 152 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|2,0,1]=4 153 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|2,0,1]=4 154 B4R0.1 C[SH](C)BCl 102603 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.1 C[SH](C)[Au]Cl 101972 [1,0,0,0,0,0|3,0,0]=4 156 B4R0.1 C\C(N)=N\O 075417 [1,0,0,0,0,0|2,0,1]=4 157 B4R0.1 ClCC(Cl)Cl 520890 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.1 FC(F)CI 034707 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.1 NCC(F)F 010670 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.1 O=C(O)CO 058235 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.1 O=C(O)CO 103022 [1,0,0,0,0,0|2,0,1]=4 162 B4R0.1 O=C([O-])CO 195404 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.1 O=S([O-])CO 450343 [1,0,0,0,0,0|3,0,0]=4 164 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|2,0,0]=3 165 B4R0.2 BrCCCBr 003830 [1,0,0,0,0,0|2,0,0]=3 166 B4R0.2 C#CCCBr 093952 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|1,0,1]=3 168 B4R0.2 C#CCCN 235851 [1,0,0,0,0,0|1,0,2]=4 169 B4R0.2 C#CCCO 009077 [1,0,0,0,0,0|0,0,2]=3 170 B4R0.2 C#CCOC 044755 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 C#COCC 050428 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|1,0,2]=4 173 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|1,0,2]=4 174 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|1,0,2]=4 175 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|0,0,2]=3 176 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|2,0,1]=4 178 B4R0.2 CC#CCBr 009057 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 CC#CCO 009076 [1,0,0,0,0,0|0,0,2]=3 180 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|1,0,1]=3 181 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|0,0,2]=3 182 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|1,0,0]=2 183 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|1,0,0]=2 184 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|1,0,0]=2 185 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|1,0,0]=2 186 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|0,0,0]=1 187 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|0,0,0]=1 188 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|0,0,0]=1 189 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|0,1,0]=2 190 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|1,0,0]=2 191 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|0,1,0]=2 192 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|2,0,0]=3 193 B4R0.2 CCN=C=S 053245 [1,0,0,0,0,0|1,1,1]=4 194 B4R0.2 CCNC=O 099258 [1,0,0,0,0,0|1,0,2]=4 195 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|2,0,0]=3 196 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|2,0,0]=3 197 B4R0.2 CCOC=N 099169 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 CCOC=O 044728 [1,0,0,0,0,0|1,0,2]=4 199 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|2,0,0]=3 200 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|2,0,0]=3 201 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|2,0,0]=3 202 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|2,0,0]=3 203 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|2,0,0]=3 204 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|1,1,0]=3 205 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|2,0,0]=3 206 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|2,0,0]=3 207 B4R0.2 CNCC#N 078723 [1,0,0,0,0,0|2,0,1]=4 208 B4R0.2 CNCC#N 238940 [1,0,0,0,0,0|2,0,1]=4 209 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|2,0,0]=3 210 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|1,0,0]=2 211 B4R0.2 COCC#N 002451 [1,0,0,0,0,0|2,0,1]=4 212 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|2,0,0]=3 213 B4R0.2 COCCN 046846 [1,0,0,0,0,0|2,0,0]=3 214 B4R0.2 COCCO 043320 [1,0,0,0,0,0|1,0,0]=2 215 B4R0.2 COCCO 102150 [1,0,0,0,0,0|1,0,0]=2 216 B4R0.2 COCOC 094560 [1,0,0,0,0,0|3,0,0]=4 217 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|2,0,0]=3 218 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|1,0,0]=2 219 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|1,0,2]=4 220 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|0,0,2]=3 221 B4R0.2 ClCCCBr 094507 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.2 ClCCCCl 101461 [1,0,0,0,0,0|2,0,0]=3 223 B4R0.2 ClCCCI 001486 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.2 ClCSCCl 108200 [1,0,0,0,0,0|3,0,0]=4 225 B4R0.2 FCCCI 095368 [1,0,0,0,0,0|2,0,0]=3 226 B4R0.2 ICCCI 003098 [1,0,0,0,0,0|2,0,0]=3 227 B4R0.2 N#CCCBr 227728 [1,0,0,0,0,0|2,0,1]=4 228 B4R0.2 N#CCCCl 076020 [1,0,0,0,0,0|2,0,1]=4 229 B4R0.2 N#CCCI 101901 [1,0,0,0,0,0|2,0,1]=4 230 B4R0.2 N#CCCN 105100 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.2 N#CCCO 005000 [1,0,0,0,0,0|1,0,1]=3 232 B4R0.2 NCCCBr 079493 [1,0,0,0,0,0|2,0,0]=3 233 B4R0.2 NCCCCl 095817 [1,0,0,0,0,0|2,0,0]=3 234 B4R0.2 NCCCN 094590 [1,0,0,0,0,0|2,0,0]=3 235 B4R0.2 NCCCO 099680 [1,0,0,0,0,0|1,0,0]=2 236 B4R0.2 NNCCO 069293 [1,0,0,0,0,0|2,0,0]=3 237 B4R0.2 OCCCBr 047460 [1,0,0,0,0,0|1,0,0]=2 238 B4R0.2 OCCCCl 024840 [1,0,0,0,0,0|1,0,0]=2 239 B4R0.2 OCCCF 010306 [1,0,0,0,0,0|1,0,0]=2 240 B4R0.2 OCCCI 002583 [1,0,0,0,0,0|1,0,0]=2 241 B4R0.2 OCCCO 095066 [1,0,0,0,0,0|1,0,0]=2 242 B4R0.2 SCCCCl 099136 [1,0,0,0,0,0|1,1,0]=3 243 B4R0.2 SCCCS 101936 [1,0,0,0,0,0|1,1,0]=3 244 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|1,0,0]=2 245 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|0,0,2]=3 246 B6R0.1 C=CC(O)CCC 241561 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.1 CCC(C)N=C=O 365573 [0,1,0,0,0,0|1,0,2]=4 248 B6R0.1 CCC(C)N=C=S 008753 [0,1,0,0,0,0|1,1,1]=4 249 B6R0.1 CCC(C)SC#N 024156 [0,1,0,0,0,0|2,0,1]=4 250 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|2,0,0]=3 251 B6R0.1 CCC(N)COC 046850 [0,1,0,0,0,0|3,0,0]=4 252 B6R0.1 CCC(O)COC 375173 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.1 CCCC(=O)OC 358407 [0,1,0,0,0,0|2,0,1]=4 254 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|1,0,1]=3 255 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|2,0,0]=3 256 B6R0.1 CC[C@@H](N)CC#N 012701 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.1 CC[C@H](N)CC#N 012702 [0,1,0,0,0,0|2,0,1]=4 258 B6R0.1 CNC(=O)CCBr 104783 [0,1,0,0,0,0|2,0,1]=4 259 B6R0.1 CNCC(O)CO 208621 [0,1,0,0,0,0|3,0,0]=4 260 B6R0.1 COC(=O)CCBr 216315 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.1 COC(=O)CCI 103108 [0,1,0,0,0,0|2,0,1]=4 262 B6R0.1 COC(=O)CCN 032703 [0,1,0,0,0,0|2,0,1]=4 263 B6R0.1 COC(=O)CCO 223297 [0,1,0,0,0,0|1,0,1]=3 264 B6R0.1 COC(=O)CCS 053164 [0,1,0,0,0,0|1,1,1]=4 265 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.1 N#CC[C@H](O)CCl 092339 [0,1,0,0,0,0|2,0,1]=4 267 B6R0.1 O=C(CCl)NCO 242902 [0,1,0,0,0,0|2,0,1]=4 268 B6R0.1 OC(CBr)CCBr BR1637 [0,1,0,0,0,0|2,0,0]=3 269 B6R0.2 CC(=O)CC(C)C 044985 [0,1,0,0,0,0|0,0,2]=3 270 B6R0.2 CC(=O)CC(C)C 102383 [0,1,0,0,0,0|0,0,2]=3 271 B6R0.2 CC(=O)NC(C)C 208609 [0,1,0,0,0,0|1,0,2]=4 272 B6R0.2 CC(=O)OC(C)C 099370 [0,1,0,0,0,0|1,0,2]=4 273 B6R0.2 CC(C)=CB(O)O 016253 [0,1,0,0,0,0|1,0,2]=4 274 B6R0.2 CC(C)=CC(=O)O 208603 [0,1,0,0,0,0|0,0,3]=4 275 B6R0.2 CC(C)=NC(C)C 022053 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.2 CC(C)CB(O)O 045297 [0,1,0,0,0,0|1,0,0]=2 277 B6R0.2 CC(C)CC(=O)Cl 520885 [0,1,0,0,0,0|0,0,2]=3 278 B6R0.2 CC(C)CC(=O)O 242835 [0,1,0,0,0,0|0,0,1]=2 279 B6R0.2 CC(C)CC(C)N 214337 [0,1,0,0,0,0|1,0,0]=2 280 B6R0.2 CC(C)CC(C)O 242810 [0,1,0,0,0,0|0,0,0]=1 281 B6R0.2 CC(C)CC(N)=O 342138 [0,1,0,0,0,0|0,0,2]=3 282 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.2 CC(C)NC(C)C 005001 [0,1,0,0,0,0|2,0,0]=3 284 B6R0.2 CC(C)NC(C)C 995001 [0,1,0,0,0,0|2,0,0]=3 285 B6R0.2 CC(C)NC(N)=O 101565 [0,1,0,0,0,0|1,0,2]=4 286 B6R0.2 CC(C)NC(N)=S 018760 [0,1,0,0,0,0|1,1,1]=4 287 B6R0.2 CC(C)SC(C)C 105009 [0,1,0,0,0,0|2,0,0]=3 288 B6R0.2 CC(Cl)CN(C)C 434039 [0,1,0,0,0,0|2,0,0]=3 289 B6R0.2 CC(N)CC(=O)O 208617 [0,1,0,0,0,0|1,0,1]=3 290 B6R0.2 CC(O)CN(C)C 092070 [0,1,0,0,0,0|1,0,0]=2 291 B6R0.2 CN(C)CC(=O)O 044353 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.2 CN(C)CC(=O)O 216339 [0,1,0,0,0,0|1,0,1]=3 293 B6R0.2 CN(C)CN(C)C 464556 [0,1,0,0,0,0|3,0,0]=4 294 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,1,0,0,0,0|1,0,1]=3 295 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,1,0,0,0,0|1,0,1]=3 296 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|1,0,1]=3 297 B6R0.3 CC(C)C(=O)CBr 079016 [0,1,0,0,0,0|1,0,1]=3 298 B6R0.3 CC(C)C(=O)NN 019317 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|0,0,0]=1 300 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|0,0,0]=1 301 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|0,0,0]=1 302 B6R0.3 CC(C)\C(N)=N\O 061505 [0,1,0,0,0,0|1,0,1]=3 303 B6R0.3 CCC(=O)C(C)C 386812 [0,1,0,0,0,0|1,0,1]=3 304 B6R0.3 CCC(=O)N(C)C 235586 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|2,0,0]=3 306 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|1,0,0]=2 307 B6R0.3 CN(C)C(=O)CBr 043801 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.3 CN(C)C(=O)CCl 067830 [0,1,0,0,0,0|2,0,1]=4 309 B6R0.3 CN(C)C(=O)CN 463150 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.3 CNC(=O)C(C)C 541993 [0,1,0,0,0,0|2,0,1]=4 311 B6R0.3 COC(=O)C(C)C 097703 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.3 NC(=O)[C@@H](N)CO 217138 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.3 NC(CO)C(=O)O 093750 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.3 N[C@@H](CO)C(=O)O 043859 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.3 N[C@H](CO)C(=O)O 011887 [0,1,0,0,0,0|2,0,1]=4 316 B6R0.3 O=C(O)C(O)CO 143500 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.4 C=C(C)CNCC 098963 [0,1,0,0,0,0|1,0,2]=4 318 B6R0.4 C=CCCC(C)=O 358446 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.4 C=COCC(C)C 103137 [0,1,0,0,0,0|1,0,1]=3 320 B6R0.4 CC(=O)CCCCl 326218 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.4 CC(=O)CCCO 093373 [0,1,0,0,0,0|1,0,1]=3 322 B6R0.4 CC(=O)NCCN 226270 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.4 CC(=O)NCCO 094790 [0,1,0,0,0,0|1,0,1]=3 324 B6R0.4 CC(=O)NCCS 106473 [0,1,0,0,0,0|1,1,1]=4 325 B6R0.4 CC(=O)OCCBr 024963 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.4 CC(=O)OCCO 046708 [0,1,0,0,0,0|1,0,1]=3 327 B6R0.4 CC(Br)CCCBr 001096 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.4 CC(C)CN=C=O 044447 [0,1,0,0,0,0|0,0,2]=3 329 B6R0.4 CC(C)CN=C=S 008985 [0,1,0,0,0,0|0,1,1]=3 330 B6R0.4 CC(C)CON=O 099090 [0,1,0,0,0,0|1,0,1]=3 331 B6R0.4 CC(C)NCCO 069257 [0,1,0,0,0,0|0,0,0]=1 332 B6R0.4 CC(C)OCCO 150900 [0,1,0,0,0,0|0,0,0]=1 333 B6R0.4 CC(O)CCCO 386330 [0,1,0,0,0,0|1,0,0]=2 334 B6R0.4 CCC#CC(C)O 105445 [0,1,0,0,0,0|2,0,1]=4 335 B6R0.4 CCCCC(C)=O 098350 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.4 CCCCC(C)N 214315 [0,1,0,0,0,0|2,0,0]=3 337 B6R0.4 CCCCN(C)C 115800 [0,1,0,0,0,0|2,0,0]=3 338 B6R0.4 CCCC[C@@H](C)O 036116 [0,1,0,0,0,0|2,0,0]=3 339 B6R0.4 CCCNC(C)=O 099232 [0,1,0,0,0,0|2,0,1]=4 340 B6R0.4 CCCOC(C)=O 104128 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.4 CN(C)CCC#N 044322 [0,1,0,0,0,0|2,0,0]=3 342 B6R0.4 CN(C)CCCBr 079586 [0,1,0,0,0,0|2,0,0]=3 343 B6R0.4 CN(C)CCCCl 240358 [0,1,0,0,0,0|2,0,0]=3 344 B6R0.4 CN(C)CCCN 094726 [0,1,0,0,0,0|2,0,0]=3 345 B6R0.4 CN(C)CCCO 242665 [0,1,0,0,0,0|1,0,0]=2 346 B6R0.4 CNCCC(C)C 321590 [0,1,0,0,0,0|1,0,0]=2 347 B6R0.4 CNCCN(C)C 236768 [0,1,0,0,0,0|2,0,0]=3 348 B6R0.4 COCCC(=O)Cl 014676 [0,1,0,0,0,0|2,0,1]=4 349 B6R0.4 COCCC(=O)O 091199 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.4 COCCC(N)=O 091205 [0,1,0,0,0,0|2,0,1]=4 351 B6R0.4 NC(=O)NCCO 319865 [0,1,0,0,0,0|2,0,1]=4 352 B6R0.4 O=C([O-])CNCO 226097 [0,1,0,0,0,0|2,0,1]=4 353 B6R0.5 C=CC[Si](C)(C)C 005255 [0,1,0,0,0,0|1,1,1]=4 354 B6R0.5 C=CC[Si](C)(C)Cl S00225 [0,1,0,0,0,0|1,1,1]=4 355 B6R0.5 CC#CC(C)(C)O 103636 [0,1,0,0,0,0|1,0,2]=4 356 B6R0.5 CC(C)(Br)CCBr 105278 [0,1,0,0,0,0|1,0,0]=2 357 B6R0.5 CC(C)(C)CC=O 049850 [0,1,0,0,0,0|0,0,2]=3 358 B6R0.5 CC(C)(C)CCBr 240396 [0,1,0,0,0,0|1,0,0]=2 359 B6R0.5 CC(C)(C)CCI 104243 [0,1,0,0,0,0|1,0,0]=2 360 B6R0.5 CC(C)(C)CCO 092664 [0,1,0,0,0,0|0,0,0]=1 361 B6R0.5 CC(C)(C)N=C=O 541836 [0,1,0,0,0,0|1,0,2]=4 362 B6R0.5 CC(C)(C)N=C=S 008754 [0,1,0,0,0,0|1,1,1]=4 363 B6R0.5 CC(C)(C)NC=O 103226 [0,1,0,0,0,0|1,0,2]=4 364 B6R0.5 CC(C)(C)OC=O 094630 [0,1,0,0,0,0|1,0,2]=4 365 B6R0.5 CC(C)(C)ON=O 050767 [0,1,0,0,0,0|2,0,1]=4 366 B6R0.5 CC(C)(Cl)CCCl 106056 [0,1,0,0,0,0|1,0,0]=2 367 B6R0.5 CC(C)(O)CC#N 372096 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.5 CC(C)(O)CCO 099109 [0,1,0,0,0,0|0,0,0]=1 369 B6R0.5 CCCC(C)(C)O 356177 [0,1,0,0,0,0|1,0,0]=2 370 B6R0.5 CCO[Si](C)(C)C S08635 [0,1,0,0,0,0|2,1,0]=4 371 B6R0.5 CCS[Si](C)(C)C 103431 [0,1,0,0,0,0|2,1,0]=4 372 B6R0.5 CNCC(C)(C)O 323417 [0,1,0,0,0,0|2,0,0]=3 373 B6R0.5 COCC(C)(C)N 044656 [0,1,0,0,0,0|2,0,0]=3 374 B6R0.5 COCC(C)(C)O 304271 [0,1,0,0,0,0|2,0,0]=3 375 B6R0.5 CS(=O)(=O)CCN 035902 [0,1,0,0,0,0|3,0,0]=4 376 B6R0.5 CS(=O)(=O)CCO 002961 [0,1,0,0,0,0|2,0,0]=3 377 B6R0.5 C[N+](C)(C)CCO 358031 [0,1,0,0,0,0|1,0,0]=2 378 B6R0.5 C[Si](C)(C)CCO S19375 [0,1,0,0,0,0|0,1,0]=2 379 B6R0.5 C[Si](C)(C)CCS S10370 [0,1,0,0,0,0|0,2,0]=3 380 B6R0.5 C\C=N\C(C)(C)C 241850 [0,1,0,0,0,0|2,0,1]=4 381 B6R0.5 FC(F)(F)CCI 001547 [0,1,0,0,0,0|3,0,0]=4 382 B6R0.5 FC(F)(F)CCS 038350 [0,1,0,0,0,0|2,1,0]=4 383 B6R0.5 NCCC(F)(F)F 007712 [0,1,0,0,0,0|3,0,0]=4 384 B6R0.5 NCCC(F)(F)F 038244 [0,1,0,0,0,0|3,0,0]=4 385 B6R0.5 O=S(=O)([O-])CCO 225614 [0,1,0,0,0,0|3,0,0]=4 386 B6R0.5 OCCC(F)(F)F 001557 [0,1,0,0,0,0|2,0,0]=3 387 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|2,0,0]=3 388 B6R1.2 BrC1CCNC1 211447 [0,0,0,1,0,0|2,0,0]=3 389 B6R1.2 CC1=CCCC1 103763 [0,0,0,1,0,0|1,0,2]=4 390 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|1,0,0]=2 391 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|2,0,0]=3 392 B6R1.2 CN1CCCC1 046845 [0,0,0,1,0,0|2,0,0]=3 393 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|2,0,0]=3 394 B6R1.2 F[C@@H]1CCNC1 013156 [0,0,0,1,0,0|2,0,0]=3 395 B6R1.2 F[C@H]1CCNC1 013157 [0,0,0,1,0,0|2,0,0]=3 396 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|2,0,0]=3 397 B6R1.2 NC1CC=CC1 011352 [0,0,0,1,0,0|2,0,1]=4 398 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|2,0,0]=3 399 B6R1.2 NC1CCNC1 024526 [0,0,0,1,0,0|2,0,0]=3 400 B6R1.2 NC1CCOC1 208592 [0,0,0,1,0,0|1,0,0]=2 401 B6R1.2 O=C1CCCC1 044205 [0,0,0,1,0,0|2,0,1]=4 402 B6R1.2 O=C1CCNC1 078709 [0,0,0,1,0,0|2,0,1]=4 403 B6R1.2 O=C1CCOC1 076836 [0,0,0,1,0,0|1,0,1]=3 404 B6R1.2 O=C1CCSC1 214765 [0,0,0,1,0,0|1,1,1]=4 405 B6R1.2 O=S1CCCC1 001093 [0,0,0,1,0,0|3,0,0]=4 406 B6R1.2 OC1CC=CC1 011661 [0,0,0,1,0,0|2,0,1]=4 407 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|2,0,0]=3 408 B6R1.2 OC1CCNC1 011341 [0,0,0,1,0,0|2,0,0]=3 409 B6R1.2 OC1CCOC1 005327 [0,0,0,1,0,0|1,0,0]=2 410 B6R1.2 O[C@@H]1CCNC1 076549 [0,0,0,1,0,0|2,0,0]=3 411 B6R1.2 O[C@@H]1CCOC1 093765 [0,0,0,1,0,0|1,0,0]=2 412 B6R1.2 O[C@H]1CCNC1 011760 [0,0,0,1,0,0|2,0,0]=3 413 B6R1.2 O[C@H]1CCNC1 093058 [0,0,0,1,0,0|2,0,0]=3 414 B6R1.2 O[C@H]1CCOC1 078070 [0,0,0,1,0,0|1,0,0]=2 415 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|2,0,0]=3 416 B6R1.3 CNCC1CC1 065548 [0,0,0,1,0,0|2,0,0]=3 417 B6R1.3 N#CCC1CC1 003711 [0,0,0,1,0,0|1,0,1]=3 418 B6R1.3 O=C=NC1CC1 075691 [0,0,0,1,0,0|1,0,2]=4 419 B6R1.3 O=CNC1CC1 237812 [0,0,0,1,0,0|1,0,2]=4 420 B6R1.3 OCCN1CC1 216355 [0,0,0,1,0,0|1,0,0]=2 421 B6R1.3 S=C=NC1CC1 008786 [0,0,0,1,0,0|1,1,1]=4 422 B6R1.10 CC1(N)CCC1 041889 [0,0,0,1,0,0|2,0,0]=3 423 B6R1.11 CC(=O)C1CC1 005112 [0,0,0,1,0,0|2,0,1]=4 424 B6R1.11 CC(N)C1CC1 095360 [0,0,0,1,0,0|2,0,0]=3 425 B6R1.11 CC(O)C1CC1 354573 [0,0,0,1,0,0|2,0,0]=3 426 B3R0.1 BrCCBr 050675 [2,0,0,0,0,0|2,0,0]=4 427 B3R0.1 C#CCO 167200 [2,0,0,0,0,0|0,0,2]=4 428 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|0,0,2]=4 429 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|0,0,2]=4 430 B3R0.1 CC#CC 117205 [2,0,0,0,0,0|0,0,2]=4 431 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,2]=4 433 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,0]=3 434 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,0]=3 435 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,0]=3 436 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,0]=2 437 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,0]=2 438 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,0]=3 439 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,0]=3 440 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,0]=3 441 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 442 B3R0.1 CNNC 446438 [2,0,0,0,0,0|2,0,0]=4 443 B3R0.1 CNOC 023913 [2,0,0,0,0,0|2,0,0]=4 444 B3R0.1 COCBr 005432 [2,0,0,0,0,0|2,0,0]=4 445 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|2,0,0]=4 446 B3R0.1 CSSC 094878 [2,0,0,0,0,0|2,0,0]=4 447 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|0,0,2]=4 448 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|0,0,2]=4 449 B3R0.1 C\C=N\O 102319 [2,0,0,0,0,0|1,0,1]=4 450 B3R0.1 C\C=N\O 358241 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.1 ClCCBr BR1051 [2,0,0,0,0,0|2,0,0]=4 452 B3R0.1 ClCCCl 043318 [2,0,0,0,0,0|2,0,0]=4 453 B3R0.1 ClCCCl 102594 [2,0,0,0,0,0|2,0,0]=4 454 B3R0.1 ClCCI 001485 [2,0,0,0,0,0|2,0,0]=4 455 B3R0.1 FCCI 095367 [2,0,0,0,0,0|2,0,0]=4 456 B3R0.1 ICCI 103493 [2,0,0,0,0,0|2,0,0]=4 457 B3R0.1 NCCBr 078524 [2,0,0,0,0,0|2,0,0]=4 458 B3R0.1 NCCCl 119280 [2,0,0,0,0,0|2,0,0]=4 459 B3R0.1 NCCCl 362131 [2,0,0,0,0,0|2,0,0]=4 460 B3R0.1 NCCF 078652 [2,0,0,0,0,0|2,0,0]=4 461 B3R0.1 NCCF 364319 [2,0,0,0,0,0|2,0,0]=4 462 B3R0.1 NCCN 043401 [2,0,0,0,0,0|2,0,0]=4 463 B3R0.1 NCCN 105894 [2,0,0,0,0,0|2,0,0]=4 464 B3R0.1 NCCN 139700 [2,0,0,0,0,0|2,0,0]=4 465 B3R0.1 NCCO 043400 [2,0,0,0,0,0|1,0,0]=3 466 B3R0.1 NCCO 103645 [2,0,0,0,0,0|1,0,0]=3 467 B3R0.1 NCCO 492434 [2,0,0,0,0,0|1,0,0]=3 468 B3R0.1 NCCS 003420 [2,0,0,0,0,0|1,1,0]=4 469 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,0,0]=3 470 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,0,0]=3 471 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,0,0]=3 472 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,0,0]=3 473 B3R0.1 OCCO 044710 [2,0,0,0,0,0|1,0,0]=3 474 B3R0.1 OCCS 003836 [2,0,0,0,0,0|1,0,0]=3 475 B3R0.1 SCCS M03555 [2,0,0,0,0,0|1,1,0]=4 476 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 477 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 478 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|0,0,2]=4 479 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|1,0,1]=4 480 B3R0.2 CB(O)O 214665 [2,0,0,0,0,0|2,0,0]=4 481 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|1,0,1]=4 482 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|1,0,1]=4 483 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|1,0,1]=4 484 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|1,0,1]=4 485 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|1,0,1]=4 486 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|1,0,1]=4 487 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|1,0,1]=4 488 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|1,0,1]=4 489 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|1,0,1]=4 490 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,0,2]=4 491 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,2]=4 492 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,0,2]=4 493 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,0,2]=4 494 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,0,2]=4 495 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,0,2]=4 496 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,0]=3 497 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,0]=3 498 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,0]=3 499 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,0]=3 500 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,0]=3 501 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,0]=3 502 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,0]=2 503 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,0]=2 504 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,0]=2 505 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,0]=2 506 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,0]=2 507 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,0]=3 508 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,1]=3 509 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,1]=3 510 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,0]=3 511 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 512 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|1,0,0]=3 513 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|1,0,0]=3 514 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|1,0,0]=3 515 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|1,0,0]=3 516 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|1,0,0]=3 517 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|1,0,0]=3 518 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|1,0,0]=3 519 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 520 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,0]=3 521 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|1,0,0]=3 522 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,1]=4 523 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,1]=4 524 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,1]=4 525 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|1,0,0]=3 526 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 527 B5R0.3 BrCC(Br)CBr 001242 [1,1,0,0,0,0|2,0,0]=4 528 B5R0.3 C#CC(O)CC 164300 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.3 C=C(CO)CO 079496 [1,1,0,0,0,0|0,0,2]=4 530 B5R0.3 C=CC(O)CC 464567 [1,1,0,0,0,0|1,0,1]=4 531 B5R0.3 C=CC(O)CO 099464 [1,1,0,0,0,0|1,0,1]=4 532 B5R0.3 CC(CBr)CBr 229847 [1,1,0,0,0,0|1,0,0]=3 533 B5R0.3 CC(CCl)CBr 239837 [1,1,0,0,0,0|1,0,0]=3 534 B5R0.3 CC(CO)CO 242900 [1,1,0,0,0,0|0,0,0]=2 535 B5R0.3 CCC(=O)CBr 002514 [1,1,0,0,0,0|1,0,1]=4 536 B5R0.3 CCC(=O)CC 094591 [1,1,0,0,0,0|1,0,1]=4 537 B5R0.3 CCC(=O)NC 103047 [1,1,0,0,0,0|1,0,1]=4 538 B5R0.3 CCC(Br)CC 358240 [1,1,0,0,0,0|1,0,0]=3 539 B5R0.3 CCC(C)C=O 103622 [1,1,0,0,0,0|0,0,1]=3 540 B5R0.3 CCC(C)CC 098988 [1,1,0,0,0,0|0,0,0]=2 541 B5R0.3 CCC(C)CN 013636 [1,1,0,0,0,0|0,0,0]=2 542 B5R0.3 CCC(C)CO 358145 [1,1,0,0,0,0|0,0,0]=2 543 B5R0.3 CCC(C)NN 046283 [1,1,0,0,0,0|1,0,0]=3 544 B5R0.3 CCC(N)CC 094499 [1,1,0,0,0,0|1,0,0]=3 545 B5R0.3 CCC(N)CO 091481 [1,1,0,0,0,0|1,0,0]=3 546 B5R0.3 CCC(O)C#N 103338 [1,1,0,0,0,0|1,0,1]=4 547 B5R0.3 CCC(O)CC 358049 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.3 CCC(O)CN 002496 [1,1,0,0,0,0|1,0,0]=3 549 B5R0.3 CCN(C)CC 493739 [1,1,0,0,0,0|1,0,0]=3 550 B5R0.3 CCN(O)CC 105777 [1,1,0,0,0,0|2,0,0]=4 551 B5R0.3 CCN(O)CC 129600 [1,1,0,0,0,0|2,0,0]=4 552 B5R0.3 CCS(=O)CC 094782 [1,1,0,0,0,0|2,0,0]=4 553 B5R0.3 CC[C@@H](N)CO 012703 [1,1,0,0,0,0|1,0,0]=3 554 B5R0.3 CC[C@H](C)CO 473128 [1,1,0,0,0,0|0,0,0]=2 555 B5R0.3 CC[C@H](N)CO 012704 [1,1,0,0,0,0|1,0,0]=3 556 B5R0.3 CC\C(C)=N\O 099127 [1,1,0,0,0,0|1,0,1]=4 557 B5R0.3 COC(=O)CO 227696 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.3 COC(C)OC 104486 [1,1,0,0,0,0|1,0,0]=3 559 B5R0.3 ClCC(Cl)CCl 099132 [1,1,0,0,0,0|2,0,0]=4 560 B5R0.3 NC(CO)CO 043594 [1,1,0,0,0,0|1,0,0]=3 561 B5R0.3 NCC(O)CN 013503 [1,1,0,0,0,0|2,0,0]=4 562 B5R0.3 NCC(O)CO 093744 [1,1,0,0,0,0|1,0,0]=3 563 B5R0.3 NC[C@@H](O)CO 036807 [1,1,0,0,0,0|1,0,0]=3 564 B5R0.3 NC[C@H](O)CCl 320853 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.3 O=C(CO)CO 093516 [1,1,0,0,0,0|1,0,1]=4 566 B5R0.3 OC(CBr)CBr 242654 [1,1,0,0,0,0|2,0,0]=4 567 B5R0.3 OC(CCl)CCl 214775 [1,1,0,0,0,0|2,0,0]=4 568 B5R0.3 OCC(O)CCl 242924 [1,1,0,0,0,0|1,0,0]=3 569 B5R0.3 OCC(O)CO 094580 [1,1,0,0,0,0|1,0,0]=3 570 B5R0.3 OCC(O)CO 102072 [1,1,0,0,0,0|1,0,0]=3 571 B5R0.3 OCC(O)CO 104202 [1,1,0,0,0,0|1,0,0]=3 572 B5R0.3 OCC(O)CS 104512 [1,1,0,0,0,0|1,0,0]=3 573 B5R0.3 OC[C@@H](O)CCl 079187 [1,1,0,0,0,0|1,0,0]=3 574 B5R0.4 BNC(C)(C)C 101999 [1,1,0,0,0,0|2,0,0]=4 575 B5R0.4 C#CC(C)(C)C 134000 [1,1,0,0,0,0|0,0,2]=4 576 B5R0.4 C#CC(C)(C)Cl 009094 [1,1,0,0,0,0|0,0,2]=4 577 B5R0.4 C#CC(C)(C)N 030955 [1,1,0,0,0,0|0,0,2]=4 578 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|0,0,2]=4 579 B5R0.4 C=CC(C)(C)C 098818 [1,1,0,0,0,0|0,0,2]=4 580 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|0,0,2]=4 581 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.4 CC(C)(C)C#N 350843 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.4 CC(C)(C)C=O 095838 [1,1,0,0,0,0|0,0,2]=4 584 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|1,0,0]=3 586 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|0,0,0]=2 587 B5R0.4 CC(C)(C)NN 042252 [1,1,0,0,0,0|2,0,0]=4 588 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|1,0,0]=3 589 B5R0.4 CC(C)(C)[Mg]Cl 102582 [1,1,0,0,0,0|2,0,0]=4 590 B5R0.4 CC(C)(C)[Mg]Cl 104904 [1,1,0,0,0,0|2,0,0]=4 591 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|1,0,0]=3 592 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|0,0,0]=2 593 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,0,0]=3 595 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,0,0]=3 596 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|0,0,0]=2 597 B5R0.4 CC(F)(F)CO 034700 [1,1,0,0,0,0|1,0,0]=3 598 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|0,0,0]=2 599 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|0,0,0]=2 600 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|0,0,0]=2 601 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|0,0,0]=2 602 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|0,0,0]=2 603 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|0,0,0]=2 604 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|0,0,0]=2 605 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|0,0,0]=2 606 B5R0.4 CC[Si](C)(C)Cl 005276 [1,1,0,0,0,0|0,1,0]=3 607 B5R0.4 CNC(C)(C)C 024302 [1,1,0,0,0,0|1,0,0]=3 608 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|1,0,0]=3 609 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|1,0,0]=3 610 B5R0.4 COC(C)(C)C 099538 [1,1,0,0,0,0|1,0,0]=3 611 B5R0.4 CO[Si](C)(C)C S10974 [1,1,0,0,0,0|1,1,0]=4 612 B5R0.4 C[Si](C)(C)CBr S02925 [1,1,0,0,0,0|1,1,0]=4 613 B5R0.4 C[Si](C)(C)CCl S04425 [1,1,0,0,0,0|1,1,0]=4 614 B5R0.4 C[Si](C)(C)CI S10025 [1,1,0,0,0,0|1,1,0]=4 615 B5R0.4 C[Si](C)(Cl)CBr S02900 [1,1,0,0,0,0|1,1,0]=4 616 B5R0.4 C[Si](C)(Cl)CCl 005267 [1,1,0,0,0,0|1,1,0]=4 617 B5R0.4 OCC(Cl)(Cl)Cl 239911 [1,1,0,0,0,0|2,0,0]=4 618 B5R0.4 OCC(F)(F)F 001273 [1,1,0,0,0,0|2,0,0]=4 619 B5R0.4 OCC(F)(F)F 102144 [1,1,0,0,0,0|2,0,0]=4 620 B5R0.4 [C-]#[N+]C(C)(C)C 021022 [1,1,0,0,0,0|1,0,1]=4 621 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|0,0,1]=3 622 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|1,0,1]=4 623 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|1,0,1]=4 624 B5R0.5 CC(=O)N(C)C 044923 [1,1,0,0,0,0|1,0,1]=4 625 B5R0.5 CC(=O)N(C)C 103880 [1,1,0,0,0,0|1,0,1]=4 626 B5R0.5 CC(=O)N(C)C 105121 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.5 CC(Br)C(=O)O BR1120 [1,1,0,0,0,0|1,0,1]=4 628 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.5 CC(C)=C(C)C 358426 [1,1,0,0,0,0|0,0,2]=4 630 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|1,0,0]=3 631 B5R0.5 CC(C)C(=N)N 017191 [1,1,0,0,0,0|1,0,1]=4 632 B5R0.5 CC(C)C(=O)Cl 005019 [1,1,0,0,0,0|0,0,2]=4 633 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|0,0,1]=3 634 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|0,0,0]=2 635 B5R0.5 CC(C)C(N)=O 091536 [1,1,0,0,0,0|0,0,2]=4 636 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|1,0,0]=3 637 B5R0.5 CC(C)S(=O)[O-] 035599 [1,1,0,0,0,0|1,0,1]=4 638 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,1,0,0,0,0|1,0,1]=4 639 B5R0.5 CC(Cl)C(=O)O 240303 [1,1,0,0,0,0|1,0,1]=4 640 B5R0.5 CC(F)C(=O)O 024847 [1,1,0,0,0,0|1,0,1]=4 641 B5R0.5 CC(N)C(=O)O 094978 [1,1,0,0,0,0|1,0,1]=4 642 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|1,0,1]=4 643 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|1,0,1]=4 644 B5R0.5 CN(C)N(C)C 062214 [1,1,0,0,0,0|2,0,0]=4 645 B5R0.5 CN(C)[SiH](C)C S07525 [1,1,0,0,0,0|1,1,0]=4 646 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,1,0,0,0,0|1,0,1]=4 647 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,1,0,0,0,0|1,0,1]=4 648 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|1,0,1]=4 649 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|1,0,0]=3 650 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,1,0,0,0,0|1,0,1]=4 651 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,1,0,0,0,0|1,0,1]=4 653 B5R0.5 C[C@H](N)C(=O)O 080323 [1,1,0,0,0,0|1,0,1]=4 654 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|1,0,1]=4 655 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|1,0,0]=3 656 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|1,0,0]=3 657 B5R0.2 BrCCCCBr 004638 [1,1,0,0,0,0|1,0,0]=3 658 B5R0.2 C#CCCCC 098932 [1,1,0,0,0,0|1,0,0]=3 659 B5R0.2 C#CCCCCl 120900 [1,1,0,0,0,0|1,0,1]=4 660 B5R0.2 C#CCCCO 164406 [1,1,0,0,0,0|0,0,1]=3 661 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|1,0,1]=4 662 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|1,0,0]=3 663 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|1,0,1]=4 664 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|0,0,1]=3 665 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|1,0,1]=4 666 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|0,0,2]=4 667 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|1,0,1]=4 668 B5R0.2 CC#CCCO 010354 [1,1,0,0,0,0|0,0,1]=3 669 B5R0.2 CCC#CCBr 009064 [1,1,0,0,0,0|1,0,1]=4 670 B5R0.2 CCC#CCO 164400 [1,1,0,0,0,0|0,0,1]=3 671 B5R0.2 CCCCC#N 386692 [1,1,0,0,0,0|1,0,0]=3 672 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|0,0,1]=3 673 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|0,0,1]=3 674 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|1,0,0]=3 675 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|1,0,0]=3 676 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|1,0,0]=3 677 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|1,0,0]=3 678 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|1,0,0]=3 679 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|1,0,0]=3 680 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|1,0,0]=3 681 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|0,0,0]=2 682 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|1,0,0]=3 683 B5R0.2 CCCCNN 324841 [1,1,0,0,0,0|1,0,0]=3 684 B5R0.2 CCCC[Zn]Br 213843 [1,1,0,0,0,0|1,0,0]=3 685 B5R0.2 CCCN=C=S 009571 [1,1,0,0,0,0|0,1,1]=4 686 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|0,0,1]=3 688 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|0,0,0]=2 689 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|1,0,0]=3 690 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|1,0,0]=3 691 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|0,0,0]=2 692 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|1,0,0]=3 693 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|1,0,0]=3 694 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|0,0,0]=2 695 B5R0.2 CCSSCC 103992 [1,1,0,0,0,0|2,0,0]=4 696 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|0,0,1]=3 697 B5R0.2 CC\C=C\CBr 106316 [1,1,0,0,0,0|1,0,1]=4 698 B5R0.2 CNCCC#N 242856 [1,1,0,0,0,0|1,0,1]=4 699 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|1,0,0]=3 700 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|0,0,0]=2 701 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|2,0,0]=4 702 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|1,0,0]=3 703 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|1,0,1]=4 704 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|1,0,0]=3 705 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|1,0,0]=3 706 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|0,0,0]=2 707 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|1,0,0]=3 708 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|1,0,0]=3 709 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|0,0,2]=4 710 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|1,0,0]=3 711 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|0,0,0]=2 712 B5R0.2 ClCCCCBr 235481 [1,1,0,0,0,0|1,0,0]=3 713 B5R0.2 ClCCCCCl 099062 [1,1,0,0,0,0|1,0,0]=3 714 B5R0.2 ClCCCCI 242676 [1,1,0,0,0,0|1,0,0]=3 715 B5R0.2 FCCCCBr 001725 [1,1,0,0,0,0|1,0,0]=3 716 B5R0.2 ICCCCI 239851 [1,1,0,0,0,0|1,0,0]=3 717 B5R0.2 N#CCCCBr 001102 [1,1,0,0,0,0|1,0,1]=4 718 B5R0.2 N#CCCCCl 097788 [1,1,0,0,0,0|1,0,1]=4 719 B5R0.2 N#CCCCI 101902 [1,1,0,0,0,0|1,0,1]=4 720 B5R0.2 NCCCCBr 227649 [1,1,0,0,0,0|1,0,0]=3 721 B5R0.2 NCCCCN 098368 [1,1,0,0,0,0|1,0,0]=3 722 B5R0.2 NCCCCO 036678 [1,1,0,0,0,0|0,0,0]=2 723 B5R0.2 OCC#CCO 009074 [1,1,0,0,0,0|0,0,2]=4 724 B5R0.2 OCCCCBr 036997 [1,1,0,0,0,0|0,0,0]=2 725 B5R0.2 OCCCCCl 097634 [1,1,0,0,0,0|0,0,0]=2 726 B5R0.2 OC\C=C/CO 095819 [1,1,0,0,0,0|0,0,2]=4 727 B5R0.2 OC\C=C/CO 098937 [1,1,0,0,0,0|0,0,2]=4 728 B5R0.2 SCCCCS 102622 [1,1,0,0,0,0|0,1,0]=3 729 B5R0.2 [C-]#[N+]CCCC 021027 [1,1,0,0,0,0|1,0,0]=3 730 B5R0.2 [N-]=[N+]=NCCO 062213 [1,1,0,0,0,0|2,0,0]=4 731 B7R0.2 CC(C)C[C@H](N)CO M03441 [0,2,0,0,0,0|0,0,0]=2 732 B7R0.2 CC(C)NC(=O)CCl 307988 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|0,0,1]=3 734 B7R0.2 CN(C)CC(O)CO 077998 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.2 COC(=O)CC(C)C 046834 [0,2,0,0,0,0|0,0,1]=3 736 B7R0.2 COC(=O)CN(C)C 099922 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,2,0,0,0,0|1,0,1]=4 738 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,2,0,0,0,0|1,0,1]=4 739 B7R0.2 NCC(O)CC(=O)O 093269 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.3 CC(CN)CCCN 098814 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.3 CCC(=O)NCCO 402339 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.3 COCCC(=O)OC 349308 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.5 CC(C)C(=O)OCCl 424728 [0,2,0,0,0,0|1,0,1]=4 744 B7R0.5 CCCC(C)C(=O)Cl 014675 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.5 CCCC(C)C(=O)O 239960 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.5 CCCC(C)C(N)=O 103248 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.5 CCOC(=O)C(C)C 094936 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.5 CN(C)C(=O)CCCl 310539 [0,2,0,0,0,0|2,0,0]=4 749 B7R0.5 N[C@@H](CCO)C(=O)O 040037 [0,2,0,0,0,0|1,0,1]=4 750 B7R0.7 CCCC(C)N=C=S 009558 [0,2,0,0,0,0|1,0,1]=4 751 B7R0.7 CCCC(C)SC#N 024162 [0,2,0,0,0,0|1,0,1]=4 752 B7R0.7 CCCC(N)CCC 144200 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.7 CCOC(C)OCC 358253 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.7 CN(CCO)CCO 358284 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.10 COC(=O)[C@@H](N)CO M03012 [0,2,0,0,0,0|1,0,1]=4 756 B7R0.10 COC(=O)[C@@H](O)CO 078180 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.10 COC(=O)[C@H](N)CO 045371 [0,2,0,0,0,0|1,0,1]=4 758 B7R0.10 OC[C@H](O)[C@H](O)CO 003436 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.10 O[C@H](CS)[C@H](O)CS M02712 [0,2,0,0,0,0|1,1,0]=4 760 B7R0.10 O[C@H](CS)[C@H](O)CS M02716 [0,2,0,0,0,0|1,1,0]=4 761 B7R0.11 CCS(=O)(=O)CCO 003464 [0,2,0,0,0,0|2,0,0]=4 762 B7R0.11 COC(C)(C)CCO 242746 [0,2,0,0,0,0|0,0,0]=2 763 B7R0.12 CCN(CC)CCBr 386920 [0,2,0,0,0,0|2,0,0]=4 764 B7R0.12 CCN(CC)CCCl 094441 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.12 CCN(CC)CCN 236769 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.12 CCN(CC)CCO 098859 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.12 CCN(CC)CCO 099634 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.12 CCN(CC)CCS 099179 [0,2,0,0,0,0|1,1,0]=4 769 B7R0.12 CNCC(OC)OC 240321 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.12 COC(CC#N)OC 099516 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.12 COC(CCBr)OC 046744 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.12 COCC(OC)OC 152900 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.9 C=C(C)CC(C)(C)C 099019 [0,2,0,0,0,0|1,0,1]=4 774 B7R0.9 CC(C)(C)CC(=O)Cl 049750 [0,2,0,0,0,0|0,0,2]=4 775 B7R0.9 CC(C)(C)CC(=O)O 078718 [0,2,0,0,0,0|0,0,1]=3 776 B7R0.9 CC(C)(C)CC(Cl)Cl 103313 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.9 CC(C)(C)CC(N)=O 102508 [0,2,0,0,0,0|0,0,2]=4 778 B7R0.9 CC(C)(N)CC(=O)O 023437 [0,2,0,0,0,0|0,0,1]=3 779 B7R0.9 CC(C)CC(C)(C)C 005420 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.9 CC(C)CC(C)(C)C 101606 [0,2,0,0,0,0|1,0,0]=3 781 B7R0.9 CC(C)CS(=O)(=O)Cl 069682 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.9 CC(C)CS(N)(=O)=O 098399 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.16 CC(C)C(=O)C(C)C 094125 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,2,0,0,0,0|0,0,1]=3 785 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,2,0,0,0,0|0,0,1]=3 786 B7R0.16 CC(C)C(N)C(C)C 214339 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|0,0,1]=3 788 B7R0.16 CC(C)C(O)C(C)C 342202 [0,2,0,0,0,0|1,0,0]=3 789 B7R0.16 CC(C)P(Cl)C(C)C 013476 [0,2,0,0,0,0|2,0,0]=4 790 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,2,0,0,0,0|0,0,1]=3 791 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,2,0,0,0,0|0,0,1]=3 792 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,2,0,0,0,0|0,0,1]=3 793 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,2,0,0,0,0|0,0,2]=4 794 B7R0.16 CC(C)[SiH](Cl)C(C)C S06775 [0,2,0,0,0,0|1,1,0]=4 795 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,2,0,0,0,0|1,0,1]=4 796 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,2,0,0,0,0|1,0,1]=4 798 B7R0.13 C#CC(C)(O)C(C)C 103638 [0,2,0,0,0,0|1,0,1]=4 799 B7R0.13 OCC(F)(F)C(F)F 001676 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.14 CC(C)(C)C(=O)CBr 538511 [0,2,0,0,0,0|1,0,1]=4 801 B7R0.14 CC(C)(C)C(=O)CCl 049259 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.14 CC(C)(C)C(=O)CN 011349 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.14 CC(C)(C)C(O)CO 105040 [0,2,0,0,0,0|0,0,0]=2 804 B7R0.14 CC(C)(C)[C@H](N)CO 208674 [0,2,0,0,0,0|0,0,0]=2 805 B7R0.14 CC(CO)C(C)(C)C 102491 [0,2,0,0,0,0|0,0,0]=2 806 B7R0.14 CCC(O)C(C)(C)C 106616 [0,2,0,0,0,0|1,0,0]=3 807 B7R0.4 CC(C)CCNC=O 104304 [0,2,0,0,0,0|0,0,1]=3 808 B7R0.4 CC(C)CCON=O 046832 [0,2,0,0,0,0|0,0,0]=2 809 B7R0.4 CC(C)CNCCN 104760 [0,2,0,0,0,0|1,0,0]=3 810 B7R0.4 CC(C)OCCCN 520884 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.4 CCCCCC(C)O 235688 [0,2,0,0,0,0|2,0,0]=4 812 B7R0.4 CCNCCN(C)C 402341 [0,2,0,0,0,0|2,0,0]=4 813 B7R0.4 CN(C)CCCC#N 217818 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.4 CN(C)CCCCN 019580 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.4 CNCCCN(C)C 065099 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.4 CNCCNC(C)C 024580 [0,2,0,0,0,0|1,0,0]=3 817 B7R0.4 COCCNC(C)C 013931 [0,2,0,0,0,0|0,0,0]=2 818 B7R0.6 CC(=O)CCC(=O)O 079484 [0,2,0,0,0,0|1,0,1]=4 819 B7R0.6 CC(=O)CCC(C)C 106440 [0,2,0,0,0,0|0,0,1]=3 820 B7R0.6 CC(=O)CCN(C)C 043224 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.6 CC(=O)NCC(C)C 103683 [0,2,0,0,0,0|0,0,2]=4 822 B7R0.6 CC(=O)OCC(C)C 095004 [0,2,0,0,0,0|0,0,2]=4 823 B7R0.6 CC(C)COC(=O)Cl 046752 [0,2,0,0,0,0|0,0,2]=4 824 B7R0.6 CC(C)SCC(=O)O 311009 [0,2,0,0,0,0|0,0,1]=3 825 B7R0.6 CC(C)SSC(C)C 099108 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.6 CC(C)\C=C\C(=O)O 011183 [0,2,0,0,0,0|0,0,2]=4 827 B7R0.6 CC(O)C#CC(C)O 242593 [0,2,0,0,0,0|1,0,1]=4 828 B7R0.6 CC(O)CCC(C)O 241359 [0,2,0,0,0,0|1,0,0]=3 829 B7R0.6 CN(C)CCC(=O)O 046799 [0,2,0,0,0,0|1,0,0]=3 830 B7R0.6 CN(C)CCN(C)C 023278 [0,2,0,0,0,0|2,0,0]=4 831 B7R0.6 CN(C)CCN(C)C 102583 [0,2,0,0,0,0|2,0,0]=4 832 B7R0.6 CN(C)CCN(C)C 104582 [0,2,0,0,0,0|2,0,0]=4 833 B7R0.6 C[N-](C)CC[N-](C)C 466866 [0,2,0,0,0,0|2,0,0]=4 834 B7R0.8 C#CCOC(C)(C)C 105507 [0,2,0,0,0,0|1,0,1]=4 835 B7R0.8 C=CCNC(C)(C)C 102065 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.8 CC(C)(C)NCCCl 098591 [0,2,0,0,0,0|1,0,0]=3 837 B7R0.8 CC(C)(C)NCCO 116000 [0,2,0,0,0,0|0,0,0]=2 838 B7R0.8 CC(C)(C)OCCO 139800 [0,2,0,0,0,0|0,0,0]=2 839 B7R0.8 CC(C)(C)SCCN 018341 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.8 CC(F)(F)CCCCl 099786 [0,2,0,0,0,0|2,0,0]=4 841 B7R0.8 CCCC[Si](C)(C)Cl 005254 [0,2,0,0,0,0|1,1,0]=4 842 B7R0.8 CNCCC(C)(C)C 104302 [0,2,0,0,0,0|1,0,0]=3 843 B7R0.8 CS(=O)(=O)CCCO 233969 [0,2,0,0,0,0|2,0,0]=4 844 B7R0.8 C[N+](C)(C)CCCBr 242798 [0,2,0,0,0,0|2,0,0]=4 845 B7R0.8 C[Si](C)(C)C#CCO S20100 [0,2,0,0,0,0|0,1,1]=4 846 B7R0.8 C[Si](C)(C)OCCCl S03850 [0,2,0,0,0,0|1,1,0]=4 847 B7R0.8 OCCCC(F)(F)F 001532 [0,2,0,0,0,0|2,0,0]=4 848 B5R1.2 BrC1COC1 107040 [1,0,0,1,0,0|1,0,0]=3 849 B5R1.2 BrC1COC1 223475 [1,0,0,1,0,0|1,0,0]=3 850 B5R1.2 IC1COC1 242158 [1,0,0,1,0,0|1,0,0]=3 851 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|1,0,0]=3 852 B5R1.2 NC1COC1 320095 [1,0,0,1,0,0|1,0,0]=3 853 B5R1.2 O=C1CCC1 033237 [1,0,0,1,0,0|1,0,1]=4 854 B5R1.2 O=C1COC1 044814 [1,0,0,1,0,0|1,0,1]=4 855 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|1,0,0]=3 856 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|2,0,0]=4 857 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|1,0,0]=3 858 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|1,0,0]=3 859 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|2,0,0]=4 860 B5R1.3 C#CC1CC1 358398 [1,0,0,1,0,0|0,0,2]=4 861 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|1,0,0]=3 862 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|1,0,0]=3 863 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|2,0,0]=4 864 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|2,0,0]=4 865 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|2,0,0]=4 866 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|1,0,0]=3 867 B5R1.3 N#CC1CC1 005110 [1,0,0,1,0,0|1,0,1]=4 868 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|1,0,0]=3 869 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|1,0,0]=3 870 B5R1.3 O=CC1CC1 065337 [1,0,0,1,0,0|0,0,2]=4 871 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|0,0,0]=2 872 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|1,0,0]=3 873 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|1,0,0]=3 874 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|1,0,0]=3 875 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|0,0,0]=2 876 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|1,0,1]=4 877 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|0,0,2]=4 878 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|1,0,0]=3 879 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|0,0,0]=2 880 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|0,0,0]=2 881 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|0,0,0]=2 882 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|0,0,0]=2 883 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|0,0,0]=2 884 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|0,0,0]=2 885 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|0,0,0]=2 886 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|0,0,0]=2 887 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|0,0,0]=2 888 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|0,1,0]=3 889 B5R1.1 C1COCO1 098850 [1,0,0,1,0,0|1,0,0]=3 890 B5R1.1 C1CSCN1 243195 [1,0,0,1,0,0|1,1,0]=4 891 B7R1.1 BrCC1CCCC1 036984 [0,1,0,1,0,0|1,0,0]=3 892 B7R1.1 BrCC1CCCO1 067835 [0,1,0,1,0,0|2,0,0]=4 893 B7R1.1 C#CC1CCCC1 099433 [0,1,0,1,0,0|1,0,1]=4 894 B7R1.1 CNC1CCCC1 024973 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|1,0,0]=3 896 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|1,0,0]=3 897 B7R1.1 ClCC1CCCO1 171500 [0,1,0,1,0,0|2,0,0]=4 898 B7R1.1 N#CC1CCCC1 467169 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.1 NCC1CCCO1 094973 [0,1,0,1,0,0|2,0,0]=4 900 B7R1.1 NC[C@@H]1CCCO1 228127 [0,1,0,1,0,0|2,0,0]=4 901 B7R1.1 NC[C@H]1CCCO1 216897 [0,1,0,1,0,0|2,0,0]=4 902 B7R1.1 NNC1CCCC1 069074 [0,1,0,1,0,0|2,0,0]=4 903 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|1,0,0]=3 904 B7R1.1 OCC1CCCN1 093752 [0,1,0,1,0,0|2,0,0]=4 905 B7R1.1 OCC1CCCO1 235709 [0,1,0,1,0,0|2,0,0]=4 906 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|0,0,0]=2 907 B7R1.1 OC[C@@H]1CCCN1 M03445 [0,1,0,1,0,0|2,0,0]=4 908 B7R1.1 OC[C@H]1CCCN1 045535 [0,1,0,1,0,0|2,0,0]=4 909 B7R1.1 OC[C@H]1CCCO1 304017 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.1 [C-]#[N+]C1CCCC1 021030 [0,1,0,1,0,0|1,0,1]=4 911 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.2 CC1CCC(C)N1 105831 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|0,0,0]=2 915 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.2 CN1CCC(O)C1 040009 [0,1,0,1,0,0|1,0,0]=3 917 B7R1.2 CN1CC[C@H](O)C1 092713 [0,1,0,1,0,0|1,0,0]=3 918 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|1,0,1]=4 920 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.2 OC1CCC(O)C1 501728 [0,1,0,1,0,0|1,0,0]=3 922 B7R1.2 O[C@@H]1C=C[C@H](O)C1 501741 [0,1,0,1,0,0|1,0,1]=4 923 B7R1.3 BN1CCOCC1 102048 [0,1,0,1,0,0|2,0,0]=4 924 B7R1.3 BrC1CCCCC1 097678 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.3 BrC1CCNCC1 024234 [0,1,0,1,0,0|2,0,0]=4 926 B7R1.3 BrC1CCOCC1 077342 [0,1,0,1,0,0|1,0,0]=3 927 B7R1.3 CC1=CCCCC1 098887 [0,1,0,1,0,0|1,0,1]=4 928 B7R1.3 CC1CCCCC1 013924 [0,1,0,1,0,0|1,0,0]=3 929 B7R1.3 CC1CCCCN1 098820 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.3 CC1CCCNC1 095841 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.3 CC1CCNCC1 005025 [0,1,0,1,0,0|1,0,0]=3 932 B7R1.3 CC1CCNCC1 106043 [0,1,0,1,0,0|1,0,0]=3 933 B7R1.3 CC1CNCCN1 023229 [0,1,0,1,0,0|1,0,0]=3 934 B7R1.3 CC1CNCCO1 075555 [0,1,0,1,0,0|1,0,0]=3 935 B7R1.3 CC1COCCN1 093767 [0,1,0,1,0,0|0,0,0]=2 936 B7R1.3 CC1SCCCS1 069036 [0,1,0,1,0,0|2,0,0]=4 937 B7R1.3 CN1CCCCC1 098869 [0,1,0,1,0,0|2,0,0]=4 938 B7R1.3 CN1CCNCC1 022134 [0,1,0,1,0,0|2,0,0]=4 939 B7R1.3 CN1CCNCC1 104603 [0,1,0,1,0,0|2,0,0]=4 940 B7R1.3 CN1CCNCC1 320129 [0,1,0,1,0,0|2,0,0]=4 941 B7R1.3 CN1CCOCC1 043444 [0,1,0,1,0,0|1,0,0]=3 942 B7R1.3 CN1CCOCC1 104657 [0,1,0,1,0,0|1,0,0]=3 943 B7R1.3 C[C@@H]1CNCCN1 011823 [0,1,0,1,0,0|1,0,0]=3 944 B7R1.3 C[C@H]1CNCCN1 011818 [0,1,0,1,0,0|1,0,0]=3 945 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,1,0,0|1,0,0]=3 946 B7R1.3 ClC1CCCCC1 494120 [0,1,0,1,0,0|2,0,0]=4 947 B7R1.3 ClC1CCNCC1 040191 [0,1,0,1,0,0|2,0,0]=4 948 B7R1.3 FC1CCCNC1 009738 [0,1,0,1,0,0|2,0,0]=4 949 B7R1.3 FC1CCNCC1 009739 [0,1,0,1,0,0|2,0,0]=4 950 B7R1.3 IC1CCCCC1 095024 [0,1,0,1,0,0|2,0,0]=4 951 B7R1.3 IC1CCOCC1 067477 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.3 NC1CCCCC1 005016 [0,1,0,1,0,0|2,0,0]=4 953 B7R1.3 NC1CCCCC1 094537 [0,1,0,1,0,0|2,0,0]=4 954 B7R1.3 NC1CCCCC1 123312 [0,1,0,1,0,0|2,0,0]=4 955 B7R1.3 NC1CCCNC1 064988 [0,1,0,1,0,0|2,0,0]=4 956 B7R1.3 NC1CCCOC1 041901 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.3 NC1CCNCC1 011407 [0,1,0,1,0,0|2,0,0]=4 958 B7R1.3 NC1CCOCC1 023514 [0,1,0,1,0,0|1,0,0]=3 959 B7R1.3 NC1CCOCC1 043887 [0,1,0,1,0,0|1,0,0]=3 960 B7R1.3 NN1CCOCC1 064992 [0,1,0,1,0,0|2,0,0]=4 961 B7R1.3 O=C1CCCOC1 070460 [0,1,0,1,0,0|1,0,1]=4 962 B7R1.3 O=C1CCOCC1 036435 [0,1,0,1,0,0|1,0,1]=4 963 B7R1.3 O=C1COCCN1 038232 [0,1,0,1,0,0|1,0,1]=4 964 B7R1.3 O=C1COCCO1 242965 [0,1,0,1,0,0|1,0,1]=4 965 B7R1.3 OC1CCCCC1 094602 [0,1,0,1,0,0|2,0,0]=4 966 B7R1.3 OC1CCCCO1 068766 [0,1,0,1,0,0|2,0,0]=4 967 B7R1.3 OC1CCCNC1 011774 [0,1,0,1,0,0|2,0,0]=4 968 B7R1.3 OC1CCCNC1 068876 [0,1,0,1,0,0|2,0,0]=4 969 B7R1.3 OC1CCCOC1 047681 [0,1,0,1,0,0|1,0,0]=3 970 B7R1.3 OC1CCNCC1 043869 [0,1,0,1,0,0|2,0,0]=4 971 B7R1.3 OC1CCOCC1 068764 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.3 OC1COCOC1 069030 [0,1,0,1,0,0|1,0,0]=3 973 B7R1.3 O[C@@H]1CCCNC1 011776 [0,1,0,1,0,0|2,0,0]=4 974 B7R1.3 O[C@H]1CCCNC1 011775 [0,1,0,1,0,0|2,0,0]=4 975 B7R1.3 SC1CCCCC1 099097 [0,1,0,1,0,0|2,0,0]=4 976 B7R1.4 CC1CCCC1=O 217631 [0,1,0,1,0,0|1,0,1]=4 977 B7R1.4 CC1CCOC1=O 092467 [0,1,0,1,0,0|0,0,1]=3 978 B7R1.4 CC1OCCC1S 358069 [0,1,0,1,0,0|1,0,0]=3 979 B7R1.4 NC1CCOC1=O 432676 [0,1,0,1,0,0|1,0,1]=4 980 B7R1.4 N[C@@H]1CCC[C@H]1O 093661 [0,1,0,1,0,0|2,0,0]=4 981 B7R1.4 N[C@H]1CCOC1=O 078519 [0,1,0,1,0,0|1,0,1]=4 982 B7R1.4 O[C@@H]1CNC[C@H]1F 360781 [0,1,0,1,0,0|2,0,0]=4 983 B7R1.4 O[C@H]1CCC[C@H]1O 342198 [0,1,0,1,0,0|2,0,0]=4 984 B7R1.4 O[C@H]1CNC[C@@H]1O 224938 [0,1,0,1,0,0|2,0,0]=4 985 B7R1.4 O[C@H]1COC[C@H]1O 319812 [0,1,0,1,0,0|1,0,0]=3 986 B7R1.6 CNCC1CCC1 104292 [0,1,0,1,0,0|2,0,0]=4 987 B7R1.22 COC(=O)[C@H]1CO1 225417 [0,1,0,1,0,0|1,0,1]=4 988 B7R1.22 C\C(=N/O)C1CC1 075938 [0,1,0,1,0,0|1,0,1]=4 989 B7R1.22 N\C(=N/O)C1CC1 092428 [0,1,0,1,0,0|1,0,1]=4 990 B7R1.22 O=C(CBr)C1CC1 064670 [0,1,0,1,0,0|1,0,1]=4 991 B7R1.22 [C@@H]1(C(=O)OC)CO1 493582 [0,1,0,1,0,0|1,0,1]=4 992 B7R1.25 CC1(CBr)COC1 033204 [0,1,0,1,0,0|2,0,0]=4 993 B7R1.25 CC1(CO)COC1 076843 [0,1,0,1,0,0|2,0,0]=4 994 B7R1.16 NC1CC(F)(F)C1 091836 [0,1,0,1,0,0|2,0,0]=4 995 B7R1.20 O=C(O)CC1CC1 003710 [0,1,0,1,0,0|0,0,1]=3 996 B7R1.23 FC1(F)CC1CBr 024175 [0,1,0,1,0,0|2,0,0]=4 997 B7R1.23 OCC1CC1(F)F 024174 [0,1,0,1,0,0|1,0,0]=3 998 B7R1.7 CCCCC1CO1 099159 [0,1,0,1,0,0|2,0,0]=4 999 B7R1.7 O=C=NCC1CC1 214423 [0,1,0,1,0,0|0,0,2]=4 1000 B7R1.7 S=C=NCC1CC1 062552 [0,1,0,1,0,0|0,1,1]=4 1001 B7R1.14 CC1(C)COC=N1 094824 [0,1,0,1,0,0|1,0,1]=4 1002 B7R1.14 CC1(C)COCN1 535769 [0,1,0,1,0,0|1,0,0]=3 1003 B7R1.14 CC1(C)NCCS1 077828 [0,1,0,1,0,0|0,1,0]=3 1004 B7R1.14 CC1(C)OCCO1 103483 [0,1,0,1,0,0|0,0,0]=2 1005 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|1,0,0]=3 1006 B7R1.14 FC1(F)CCNC1 010725 [0,1,0,1,0,0|2,0,0]=4 1007 B7R2.13 C1CC2OC2C1 078957 [0,0,0,2,0,0|2,0,0]=4 1008 B7R2.13 C1OCC2OC12 091902 [0,0,0,2,0,0|1,0,0]=3 1009 B7R2.5 NC12CC(C1)C2 098697 [0,0,0,2,0,0|1,0,0]=3