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|1,0,3]=4 3 B5R0.1 C=C(C)CCO 358461 [0,0,0,0,0,0|0,0,4]=4 4 B5R0.1 C=CCC(C)C 106337 [0,0,0,0,0,0|1,0,0]=1 5 B5R0.1 C=COC(C)=O 098012 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(=O)CCCl 069833 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.1 CC(=O)CCO 358442 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.1 CC(Br)CCBr BR1240 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 CC(C)=CC=O 386384 [0,0,0,0,0,0|0,0,2]=2 10 B5R0.1 CC(C)=CCBr 053316 [0,0,0,0,0,0|1,0,3]=4 11 B5R0.1 CC(C)=CCCl 349314 [0,0,0,0,0,0|1,0,3]=4 12 B5R0.1 CC(C)=CCO 358414 [0,0,0,0,0,0|0,0,4]=4 13 B5R0.1 CC(C)CC#N 386919 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.1 CC(C)CC=O 094970 [0,0,0,0,0,0|0,0,0]=0 15 B5R0.1 CC(C)CCBr BR1353 [0,0,0,0,0,0|1,0,1]=2 16 B5R0.1 CC(C)CCI 046949 [0,0,0,0,0,0|1,0,1]=2 17 B5R0.1 CC(C)CCN 097749 [0,0,0,0,0,0|1,0,1]=2 18 B5R0.1 CC(C)CCO 097704 [0,0,0,0,0,0|0,0,2]=2 19 B5R0.1 CC(C)CCO 103352 [0,0,0,0,0,0|0,0,2]=2 20 B5R0.1 CC(C)CCS 358459 [0,0,0,0,0,0|0,1,1]=2 21 B5R0.1 CC(C)CNN 023508 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 CC(C)N=C=S 008986 [0,0,0,0,0,0|1,1,1]=3 23 B5R0.1 CC(C)NC=O 103706 [0,0,0,0,0,0|1,0,0]=1 24 B5R0.1 CC(C)SC#N 005915 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 CC(O)CCO 099380 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 CCCC(C)Br 024476 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.1 CCCC(C)Br BR1101 [0,0,0,0,0,0|2,0,1]=3 28 B5R0.1 CCCC(C)C 098758 [0,0,0,0,0,0|1,0,1]=2 29 B5R0.1 CCCC(C)N 097754 [0,0,0,0,0,0|2,0,1]=3 30 B5R0.1 CCCC(C)O 099024 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 CCCC(C)S 070734 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.1 CCC[C@H](C)O 036089 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 CCNC(C)C 057128 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 CN(C)CCBr 077959 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 CN(C)CCCl 077638 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 CN(C)CCN 043851 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 CN(C)CCO 044665 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 CN(C)CCS 450419 [0,0,0,0,0,0|1,1,1]=3 39 B5R0.1 CNCC(C)C 047078 [0,0,0,0,0,0|2,0,0]=2 40 B5R0.1 COCC(C)=O 002450 [0,0,0,0,0,0|3,0,1]=4 41 B5R0.1 COCC(C)N 402335 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.1 COCC(C)O 093985 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.1 COC[C@@H](C)N 079780 [0,0,0,0,0,0|3,0,0]=3 44 B5R0.1 COC[C@@H](C)O 036090 [0,0,0,0,0,0|3,0,0]=3 45 B5R0.1 CSCS(C)=O 303199 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.1 C[C@@H](N)CCO 092790 [0,0,0,0,0,0|1,0,2]=3 47 B5R0.1 C[C@@H](O)CCO 041923 [0,0,0,0,0,0|1,0,2]=3 48 B5R0.1 C[C@H](N)CCO 092789 [0,0,0,0,0,0|1,0,2]=3 49 B5R0.1 C[C@H](O)CCO 041922 [0,0,0,0,0,0|1,0,2]=3 50 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|0,0,2]=3 51 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|1,0,2]=4 52 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 C=C(C)C=O 533380 [1,0,0,0,0,0|0,0,2]=3 55 B4R0.1 C=C(C)CBr 067665 [1,0,0,0,0,0|1,0,2]=4 56 B4R0.1 C=C(C)CCl 094695 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.1 C=C(C)CO 358232 [1,0,0,0,0,0|0,0,3]=4 58 B4R0.1 C=C(C)CS 038481 [1,0,0,0,0,0|0,1,2]=4 59 B4R0.1 C=CC(C)=O 099068 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|1,0,1]=3 61 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 CC(=O)C=O 069255 [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 CC(=O)CCl 099980 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 CC(=O)CN 078537 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 CC(=O)CO 097598 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|1,0,2]=4 68 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|0,0,0]=1 70 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|0,0,0]=1 71 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|0,0,1]=2 75 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|0,1,0]=2 76 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|1,0,1]=3 78 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|2,0,0]=3 80 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|1,0,1]=3 89 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,1]=3 90 B4R0.1 CCC(C)=O 046806 [1,0,0,0,0,0|1,0,2]=4 91 B4R0.1 CCC(C)=O 075238 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.1 CCC(C)=O 101973 [1,0,0,0,0,0|1,0,2]=4 93 B4R0.1 CCC(C)=O 102570 [1,0,0,0,0,0|1,0,2]=4 94 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|1,0,1]=3 95 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|0,0,1]=2 96 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|1,0,1]=3 97 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|1,0,1]=3 98 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|1,0,1]=3 99 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|1,0,1]=3 100 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.1 CN(C)C#N 099034 [1,0,0,0,0,0|2,0,1]=4 103 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|1,0,0]=2 104 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|1,0,0]=2 105 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|1,0,0]=2 106 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|1,0,0]=2 107 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|1,0,0]=2 108 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|1,1,0]=3 109 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|1,0,1]=3 110 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|2,0,1]=4 111 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|1,1,1]=4 112 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|1,0,1]=3 113 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|2,0,0]=3 114 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|1,0,1]=3 115 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|1,0,1]=3 116 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|2,0,0]=3 117 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|2,0,0]=3 119 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|2,0,0]=3 120 B4R0.1 C[SH](C)BCl 102603 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.1 C[SH](C)[Au]Cl 101972 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.1 ClCC(Cl)Cl 520890 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.1 FC(F)CI 034707 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.1 NCC(F)F 010670 [1,0,0,0,0,0|3,0,0]=4 125 B4R0.1 O=CC(=O)O 095359 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.1 OCC(F)F 001565 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.2 BrCCCBr 003830 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.2 C#CCCBr 093952 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|1,0,1]=3 130 B4R0.2 C#CCCN 235851 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.2 C#CCCO 009077 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 C#CCOC 044755 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 C#COCC 050428 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 C=CCC#N 355220 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|2,0,0]=3 136 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|2,0,0]=3 137 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|2,0,0]=3 138 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|2,0,0]=3 139 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|2,0,0]=3 140 B4R0.2 C=CCON 471484 [1,0,0,0,0,0|3,0,0]=4 141 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|2,0,0]=3 142 B4R0.2 C=CC[Pd]Cl 046130 [1,0,0,0,0,0|3,0,0]=4 143 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|0,0,0]=1 145 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|1,0,1]=3 147 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|1,0,1]=3 149 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|0,0,2]=3 150 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|0,0,2]=3 151 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|0,0,2]=3 152 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|0,1,1]=3 153 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|1,0,1]=3 154 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|0,1,1]=3 155 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|2,0,0]=3 156 B4R0.2 CCN=C=S 053245 [1,0,0,0,0,0|1,1,1]=4 157 B4R0.2 CCNC=O 099258 [1,0,0,0,0,0|1,0,0]=2 158 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|2,0,1]=4 159 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 CCOC=N 099169 [1,0,0,0,0,0|2,0,0]=3 161 B4R0.2 CCOC=O 044728 [1,0,0,0,0,0|1,0,0]=2 162 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|2,0,1]=4 163 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|2,0,1]=4 164 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|2,0,1]=4 165 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|2,0,1]=4 167 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|1,1,1]=4 168 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|2,0,1]=4 169 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|2,0,1]=4 170 B4R0.2 CNCC#N 078723 [1,0,0,0,0,0|2,0,1]=4 171 B4R0.2 CNCC#N 238940 [1,0,0,0,0,0|2,0,1]=4 172 B4R0.2 CNCCN 094592 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 CNCCO 095022 [1,0,0,0,0,0|1,0,2]=4 174 B4R0.2 COCC#N 002451 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 COCCBr 005433 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 COCCN 046846 [1,0,0,0,0,0|2,0,1]=4 177 B4R0.2 COCCO 043320 [1,0,0,0,0,0|1,0,2]=4 178 B4R0.2 COCCO 102150 [1,0,0,0,0,0|1,0,2]=4 179 B4R0.2 COCOC 094560 [1,0,0,0,0,0|3,0,0]=4 180 B4R0.2 CSCCCl 044921 [1,0,0,0,0,0|2,0,1]=4 181 B4R0.2 CSCCO 003087 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 C\C=C\C=O 245633 [1,0,0,0,0,0|0,0,2]=3 183 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|2,0,1]=4 184 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.2 ClCCCBr 094507 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.2 ClCCCCl 101461 [1,0,0,0,0,0|2,0,1]=4 187 B4R0.2 ClCCCI 001486 [1,0,0,0,0,0|2,0,1]=4 188 B4R0.2 Cl\C=C\CCl 358262 [1,0,0,0,0,0|2,0,1]=4 189 B4R0.2 FCCCI 095368 [1,0,0,0,0,0|2,0,1]=4 190 B4R0.2 ICCCI 003098 [1,0,0,0,0,0|2,0,1]=4 191 B4R0.2 N#CCCBr 227728 [1,0,0,0,0,0|2,0,1]=4 192 B4R0.2 N#CCCCl 076020 [1,0,0,0,0,0|2,0,1]=4 193 B4R0.2 N#CCCI 101901 [1,0,0,0,0,0|2,0,1]=4 194 B4R0.2 N#CCCN 105100 [1,0,0,0,0,0|2,0,1]=4 195 B4R0.2 N#CCCO 005000 [1,0,0,0,0,0|2,0,1]=4 196 B4R0.2 NCCCBr 079493 [1,0,0,0,0,0|2,0,1]=4 197 B4R0.2 NCCCCl 095817 [1,0,0,0,0,0|2,0,1]=4 198 B4R0.2 NCCCN 094590 [1,0,0,0,0,0|2,0,1]=4 199 B4R0.2 NCCCO 099680 [1,0,0,0,0,0|1,0,2]=4 200 B4R0.2 NNCCO 069293 [1,0,0,0,0,0|3,0,0]=4 201 B4R0.2 O=C[N-]C=O 019259 [1,0,0,0,0,0|2,0,1]=4 202 B4R0.2 OCCCBr 047460 [1,0,0,0,0,0|1,0,2]=4 203 B4R0.2 OCCCCl 024840 [1,0,0,0,0,0|1,0,2]=4 204 B4R0.2 OCCCF 010306 [1,0,0,0,0,0|1,0,2]=4 205 B4R0.2 OCCCI 002583 [1,0,0,0,0,0|1,0,2]=4 206 B4R0.2 OCCCO 095066 [1,0,0,0,0,0|1,0,2]=4 207 B4R0.2 SCCCCl 099136 [1,0,0,0,0,0|1,1,1]=4 208 B4R0.2 SCCCS 101936 [1,0,0,0,0,0|1,1,1]=4 209 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|1,0,1]=3 210 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|0,0,0]=1 211 B6R0.1 C=CCC(=O)OC 513980 [0,1,0,0,0,0|2,0,1]=4 212 B6R0.1 CCC(C)N=C=O 365573 [0,1,0,0,0,0|1,0,1]=3 213 B6R0.1 CCC(C)N=C=S 008753 [0,1,0,0,0,0|1,1,1]=4 214 B6R0.1 CCC(C)SC#N 024156 [0,1,0,0,0,0|2,0,1]=4 215 B6R0.1 CCC(N)CCN 479098 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.1 CCC(N)COC 046850 [0,1,0,0,0,0|3,0,0]=4 217 B6R0.1 CCC(O)COC 375173 [0,1,0,0,0,0|3,0,0]=4 218 B6R0.1 CCCC(C)C=O 520881 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.1 CCCC(O)CO 242929 [0,1,0,0,0,0|2,0,1]=4 220 B6R0.1 CC[C@@H](N)CC#N 012701 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.1 CC[C@H](N)CC#N 012702 [0,1,0,0,0,0|2,0,1]=4 222 B6R0.1 CNCC(O)CO 208621 [0,1,0,0,0,0|3,0,0]=4 223 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|1,0,1]=3 224 B6R0.1 N#CC[C@H](O)CCl 092339 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.1 OC(CBr)CCBr BR1637 [0,1,0,0,0,0|2,0,1]=4 226 B6R0.2 C=C(C)C=C(C)C 104537 [0,1,0,0,0,0|1,0,2]=4 227 B6R0.2 C=C(C)OC(C)=O 101993 [0,1,0,0,0,0|1,0,2]=4 228 B6R0.2 CC(=O)C=C(C)C 098815 [0,1,0,0,0,0|0,0,2]=3 229 B6R0.2 CC(=O)CC(C)=O 100600 [0,1,0,0,0,0|1,0,1]=3 230 B6R0.2 CC(=O)CC(C)C 044985 [0,1,0,0,0,0|0,0,0]=1 231 B6R0.2 CC(=O)CC(C)C 102383 [0,1,0,0,0,0|0,0,0]=1 232 B6R0.2 CC(=O)CC(N)=O 444419 [0,1,0,0,0,0|1,0,1]=3 233 B6R0.2 CC(=O)NC(C)C 208609 [0,1,0,0,0,0|1,0,0]=2 234 B6R0.2 CC(=O)NC(N)=O 349305 [0,1,0,0,0,0|2,0,1]=4 235 B6R0.2 CC(=O)OC(C)=O 035908 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.2 CC(=O)OC(C)=O 099749 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.2 CC(=O)OC(C)C 099370 [0,1,0,0,0,0|1,0,0]=2 238 B6R0.2 CC(=O)[CH-]C(C)=O 450501 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [0,1,0,0,0,0|1,0,2]=4 240 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [0,1,0,0,0,0|1,0,2]=4 241 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [0,1,0,0,0,0|1,0,2]=4 242 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [0,1,0,0,0,0|1,0,2]=4 243 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [0,1,0,0,0,0|1,0,2]=4 244 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [0,1,0,0,0,0|1,0,2]=4 245 B6R0.2 CC(C)=CC(=O)Cl 438394 [0,1,0,0,0,0|0,0,2]=3 246 B6R0.2 CC(C)=CC(=O)O 208603 [0,1,0,0,0,0|0,0,2]=3 247 B6R0.2 CC(C)=NC(C)C 022053 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.2 CC(C)CB(O)O 045297 [0,1,0,0,0,0|1,0,1]=3 249 B6R0.2 CC(C)CC(=O)Cl 520885 [0,1,0,0,0,0|0,0,0]=1 250 B6R0.2 CC(C)CC(=O)O 242835 [0,1,0,0,0,0|0,0,0]=1 251 B6R0.2 CC(C)CC(C)N 214337 [0,1,0,0,0,0|1,0,1]=3 252 B6R0.2 CC(C)CC(C)O 242810 [0,1,0,0,0,0|0,0,2]=3 253 B6R0.2 CC(C)CC(N)=O 342138 [0,1,0,0,0,0|0,0,0]=1 254 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,1,0,0,0,0|1,0,0]=2 255 B6R0.2 CC(C)NC(C)C 005001 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.2 CC(C)NC(C)C 995001 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.2 CC(C)NC(N)=O 101565 [0,1,0,0,0,0|1,0,0]=2 258 B6R0.2 CC(C)NC(N)=S 018760 [0,1,0,0,0,0|1,1,0]=3 259 B6R0.2 CC(C)SC(C)C 105009 [0,1,0,0,0,0|2,0,1]=4 260 B6R0.2 CC(Cl)CN(C)C 434039 [0,1,0,0,0,0|2,0,1]=4 261 B6R0.2 CC(Cl)OC(=O)Cl 019459 [0,1,0,0,0,0|2,0,0]=3 262 B6R0.2 CC(N)CC(=O)O 208617 [0,1,0,0,0,0|1,0,0]=2 263 B6R0.2 CC(O)CN(C)C 092070 [0,1,0,0,0,0|1,0,2]=4 264 B6R0.2 CN(C)CC(=O)O 044353 [0,1,0,0,0,0|1,0,0]=2 265 B6R0.2 CN(C)CC(=O)O 216339 [0,1,0,0,0,0|1,0,0]=2 266 B6R0.2 CN(C)CN(C)C 464556 [0,1,0,0,0,0|3,0,0]=4 267 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,1,0,0,0,0|1,0,0]=2 268 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,1,0,0,0,0|1,0,0]=2 269 B6R0.2 N=C(N)CC(N)=O 242690 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.2 NC(=O)CC(N)=O 094932 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.2 O=C(O)CC(=O)O 020000 [0,1,0,0,0,0|2,0,1]=4 272 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|1,0,1]=3 273 B6R0.3 C=CC(=O)N(C)C 046781 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.3 CC(C)C(=O)CBr 079016 [0,1,0,0,0,0|1,0,2]=4 275 B6R0.3 CC(C)C(=O)NN 019317 [0,1,0,0,0,0|2,0,1]=4 276 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|0,0,2]=3 277 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|0,0,2]=3 278 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|0,0,2]=3 279 B6R0.3 CC(C)\C(N)=N\O 061505 [0,1,0,0,0,0|1,0,2]=4 280 B6R0.3 CCC(=O)C(C)C 386812 [0,1,0,0,0,0|1,0,2]=4 281 B6R0.3 CCC(C)C(C)O 103328 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|1,0,1]=3 283 B6R0.3 CNC(=O)C(C)C 541993 [0,1,0,0,0,0|2,0,1]=4 284 B6R0.3 COC(=O)C(C)C 097703 [0,1,0,0,0,0|2,0,1]=4 285 B6R0.4 C=CCCC(C)=O 358446 [0,1,0,0,0,0|2,0,1]=4 286 B6R0.4 C=CCNC(C)=O 103870 [0,1,0,0,0,0|2,0,1]=4 287 B6R0.4 C=CCOC(C)=O 099570 [0,1,0,0,0,0|2,0,1]=4 288 B6R0.4 C=COCC(C)C 103137 [0,1,0,0,0,0|1,0,0]=2 289 B6R0.4 CC(Br)CCCBr 001096 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.4 CC(C)CN=C=O 044447 [0,1,0,0,0,0|0,0,1]=2 291 B6R0.4 CC(C)CN=C=S 008985 [0,1,0,0,0,0|0,1,1]=3 292 B6R0.4 CC(C)CON=O 099090 [0,1,0,0,0,0|1,0,0]=2 293 B6R0.4 CC(C)NCCO 069257 [0,1,0,0,0,0|0,0,2]=3 294 B6R0.4 CC(C)OCCO 150900 [0,1,0,0,0,0|0,0,2]=3 295 B6R0.4 CC(O)CCCO 386330 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.4 CCCCC(C)N 214315 [0,1,0,0,0,0|2,0,1]=4 297 B6R0.4 CCCCN(C)C 115800 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.4 CCCC[C@@H](C)O 036116 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.4 CN(C)CCC#N 044322 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.4 CN(C)CCCBr 079586 [0,1,0,0,0,0|2,0,1]=4 301 B6R0.4 CN(C)CCCCl 240358 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.4 CN(C)CCCN 094726 [0,1,0,0,0,0|2,0,1]=4 303 B6R0.4 CN(C)CCCO 242665 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.4 CN(C)\C=C\C=O 044782 [0,1,0,0,0,0|1,0,1]=3 305 B6R0.4 CNCCC(C)C 321590 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.4 CNCCN(C)C 236768 [0,1,0,0,0,0|2,0,1]=4 307 B6R0.4 O=CCCC(=O)O 103323 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.5 C(=O)CC(F)(F)F 008676 [0,1,0,0,0,0|2,0,0]=3 309 B6R0.5 C=CC[Si](C)(C)C 005255 [0,1,0,0,0,0|1,1,0]=3 310 B6R0.5 C=CC[Si](C)(C)Cl S00225 [0,1,0,0,0,0|1,1,0]=3 311 B6R0.5 CC#CC(C)(C)O 103636 [0,1,0,0,0,0|1,0,2]=4 312 B6R0.5 CC(C)(Br)CCBr 105278 [0,1,0,0,0,0|1,0,1]=3 313 B6R0.5 CC(C)(C)CC=O 049850 [0,1,0,0,0,0|0,0,0]=1 314 B6R0.5 CC(C)(C)CCBr 240396 [0,1,0,0,0,0|1,0,1]=3 315 B6R0.5 CC(C)(C)CCI 104243 [0,1,0,0,0,0|1,0,1]=3 316 B6R0.5 CC(C)(C)CCO 092664 [0,1,0,0,0,0|0,0,2]=3 317 B6R0.5 CC(C)(C)N=C=O 541836 [0,1,0,0,0,0|1,0,1]=3 318 B6R0.5 CC(C)(C)N=C=S 008754 [0,1,0,0,0,0|1,1,1]=4 319 B6R0.5 CC(C)(C)NC=O 103226 [0,1,0,0,0,0|1,0,0]=2 320 B6R0.5 CC(C)(C)OC=O 094630 [0,1,0,0,0,0|1,0,0]=2 321 B6R0.5 CC(C)(C)ON=O 050767 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.5 CC(C)(Cl)CCCl 106056 [0,1,0,0,0,0|1,0,1]=3 323 B6R0.5 CC(C)(O)CC#N 372096 [0,1,0,0,0,0|1,0,1]=3 324 B6R0.5 CC(C)(O)CCO 099109 [0,1,0,0,0,0|0,0,2]=3 325 B6R0.5 CCCC(C)(C)O 356177 [0,1,0,0,0,0|1,0,1]=3 326 B6R0.5 CNCC(C)(C)O 323417 [0,1,0,0,0,0|2,0,0]=3 327 B6R0.5 COCC(C)(C)N 044656 [0,1,0,0,0,0|2,0,0]=3 328 B6R0.5 COCC(C)(C)O 304271 [0,1,0,0,0,0|2,0,0]=3 329 B6R0.5 C[N+](C)(C)CCO 358031 [0,1,0,0,0,0|1,0,2]=4 330 B6R0.5 C[Si](C)(C)CCO S19375 [0,1,0,0,0,0|0,1,2]=4 331 B6R0.5 C[Si](C)(C)CCS S10370 [0,1,0,0,0,0|0,2,1]=4 332 B6R0.5 C\C=N\C(C)(C)C 241850 [0,1,0,0,0,0|2,0,0]=3 333 B6R1.2 BrC1CCCC1 021866 [0,0,0,1,0,0|2,0,1]=4 334 B6R1.2 BrC1CCNC1 211447 [0,0,0,1,0,0|2,0,1]=4 335 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|1,0,1]=3 336 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|2,0,1]=4 337 B6R1.2 CN1CCCC1 046845 [0,0,0,1,0,0|2,0,1]=4 338 B6R1.2 ClC1CCCC1 098808 [0,0,0,1,0,0|2,0,1]=4 339 B6R1.2 F[C@@H]1CCNC1 013156 [0,0,0,1,0,0|2,0,1]=4 340 B6R1.2 F[C@H]1CCNC1 013157 [0,0,0,1,0,0|2,0,1]=4 341 B6R1.2 IC1CCCC1 097746 [0,0,0,1,0,0|2,0,1]=4 342 B6R1.2 NC1CC=CC1 011352 [0,0,0,1,0,0|2,0,0]=3 343 B6R1.2 NC1CCCC1 049405 [0,0,0,1,0,0|2,0,1]=4 344 B6R1.2 NC1CCNC1 024526 [0,0,0,1,0,0|2,0,1]=4 345 B6R1.2 NC1CCOC1 208592 [0,0,0,1,0,0|1,0,2]=4 346 B6R1.2 OC1CC=CC1 011661 [0,0,0,1,0,0|2,0,0]=3 347 B6R1.2 OC1CCCC1 044840 [0,0,0,1,0,0|2,0,1]=4 348 B6R1.2 OC1CCNC1 011341 [0,0,0,1,0,0|2,0,1]=4 349 B6R1.2 OC1CCOC1 005327 [0,0,0,1,0,0|1,0,2]=4 350 B6R1.2 O[C@@H]1CCNC1 076549 [0,0,0,1,0,0|2,0,1]=4 351 B6R1.2 O[C@@H]1CCOC1 093765 [0,0,0,1,0,0|1,0,2]=4 352 B6R1.2 O[C@H]1CCNC1 011760 [0,0,0,1,0,0|2,0,1]=4 353 B6R1.2 O[C@H]1CCNC1 093058 [0,0,0,1,0,0|2,0,1]=4 354 B6R1.2 O[C@H]1CCOC1 078070 [0,0,0,1,0,0|1,0,2]=4 355 B6R1.2 SC1CCCC1 075248 [0,0,0,1,0,0|2,0,1]=4 356 B6R1.3 CNCC1CC1 065548 [0,0,0,1,0,0|2,0,0]=3 357 B6R1.3 N#CCC1CC1 003711 [0,0,0,1,0,0|1,0,1]=3 358 B6R1.3 O=C=NC1CC1 075691 [0,0,0,1,0,0|1,0,1]=3 359 B6R1.3 O=CNC1CC1 237812 [0,0,0,1,0,0|1,0,0]=2 360 B6R1.3 OCCN1CC1 216355 [0,0,0,1,0,0|1,0,2]=4 361 B6R1.3 S=C=NC1CC1 008786 [0,0,0,1,0,0|1,1,1]=4 362 B6R1.10 CC1(N)CCC1 041889 [0,0,0,1,0,0|2,0,1]=4 363 B6R1.11 CC(N)C1CC1 095360 [0,0,0,1,0,0|2,0,1]=4 364 B6R1.11 CC(O)C1CC1 354573 [0,0,0,1,0,0|2,0,1]=4 365 B3R0.1 BrCCBr 050675 [2,0,0,0,0,0|2,0,0]=4 366 B3R0.1 C=CCBr BR1119 [2,0,0,0,0,0|1,0,1]=4 367 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|0,0,1]=3 368 B3R0.1 C=CCCl 094723 [2,0,0,0,0,0|1,0,1]=4 369 B3R0.1 C=CCI 001263 [2,0,0,0,0,0|1,0,1]=4 370 B3R0.1 C=CCN 099131 [2,0,0,0,0,0|1,0,1]=4 371 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|1,0,1]=4 372 B3R0.1 C=CCS 099583 [2,0,0,0,0,0|1,0,1]=4 373 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 374 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,0]=2 375 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,0]=3 376 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,0]=3 377 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,0]=3 378 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,1]=3 379 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,1]=3 380 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,0]=3 381 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,0]=3 382 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,1]=4 383 B3R0.1 CCON 092211 [2,0,0,0,0,0|2,0,0]=4 384 B3R0.1 CNC=O 098971 [2,0,0,0,0,0|1,0,0]=3 385 B3R0.1 COC=O 101914 [2,0,0,0,0,0|1,0,0]=3 386 B3R0.1 COCBr 005432 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.1 CSCCl 075261 [2,0,0,0,0,0|2,0,0]=4 388 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|1,0,1]=4 389 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|1,0,1]=4 390 B3R0.1 ClCCBr BR1051 [2,0,0,0,0,0|2,0,0]=4 391 B3R0.1 ClCCCl 043318 [2,0,0,0,0,0|2,0,0]=4 392 B3R0.1 ClCCCl 102594 [2,0,0,0,0,0|2,0,0]=4 393 B3R0.1 ClCCI 001485 [2,0,0,0,0,0|2,0,0]=4 394 B3R0.1 FCCI 095367 [2,0,0,0,0,0|2,0,0]=4 395 B3R0.1 ICCI 103493 [2,0,0,0,0,0|2,0,0]=4 396 B3R0.1 NCCBr 078524 [2,0,0,0,0,0|2,0,0]=4 397 B3R0.1 NCCCl 119280 [2,0,0,0,0,0|2,0,0]=4 398 B3R0.1 NCCCl 362131 [2,0,0,0,0,0|2,0,0]=4 399 B3R0.1 NCCF 078652 [2,0,0,0,0,0|2,0,0]=4 400 B3R0.1 NCCF 364319 [2,0,0,0,0,0|2,0,0]=4 401 B3R0.1 NCCN 043401 [2,0,0,0,0,0|2,0,0]=4 402 B3R0.1 NCCN 105894 [2,0,0,0,0,0|2,0,0]=4 403 B3R0.1 NCCN 139700 [2,0,0,0,0,0|2,0,0]=4 404 B3R0.1 NCCO 043400 [2,0,0,0,0,0|1,0,1]=4 405 B3R0.1 NCCO 103645 [2,0,0,0,0,0|1,0,1]=4 406 B3R0.1 NCCO 492434 [2,0,0,0,0,0|1,0,1]=4 407 B3R0.1 NCCS 003420 [2,0,0,0,0,0|1,1,0]=4 408 B3R0.1 NNC=O 099623 [2,0,0,0,0,0|2,0,0]=4 409 B3R0.1 O=CC=O 094007 [2,0,0,0,0,0|1,0,1]=4 410 B3R0.1 O=CCCl 098847 [2,0,0,0,0,0|1,0,0]=3 411 B3R0.1 OCCBr 111300 [2,0,0,0,0,0|1,0,1]=4 412 B3R0.1 OCCCl 094877 [2,0,0,0,0,0|1,0,1]=4 413 B3R0.1 OCCI 001387 [2,0,0,0,0,0|1,0,1]=4 414 B3R0.1 OCCI 102984 [2,0,0,0,0,0|1,0,1]=4 415 B3R0.1 OCCO 044710 [2,0,0,0,0,0|1,0,1]=4 416 B3R0.1 OCCS 003836 [2,0,0,0,0,0|1,0,1]=4 417 B3R0.1 SCCS M03555 [2,0,0,0,0,0|1,1,0]=4 418 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|2,0,0]=4 419 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 420 B3R0.2 C=C(C)Br 098357 [2,0,0,0,0,0|1,0,1]=4 421 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|0,0,1]=3 422 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|1,0,0]=3 423 B3R0.2 CC(=O)Br 003920 [2,0,0,0,0,0|1,0,1]=4 424 B3R0.2 CC(=O)Cl 094104 [2,0,0,0,0,0|1,0,1]=4 425 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|1,0,1]=4 426 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|1,0,1]=4 427 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|1,0,1]=4 428 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|1,0,1]=4 429 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|1,0,1]=4 430 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|1,0,1]=4 431 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|1,0,1]=4 432 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|1,0,1]=4 433 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|1,0,1]=4 434 B3R0.2 CC(=O)S 094692 [2,0,0,0,0,0|1,0,1]=4 435 B3R0.2 CC(=O)[O-] 044838 [2,0,0,0,0,0|1,0,1]=4 436 B3R0.2 CC(=O)[O-] 050331 [2,0,0,0,0,0|1,0,1]=4 437 B3R0.2 CC(=O)[O-] 095373 [2,0,0,0,0,0|1,0,1]=4 438 B3R0.2 CC(=O)[O-] 095810 [2,0,0,0,0,0|1,0,1]=4 439 B3R0.2 CC(=O)[O-] 095811 [2,0,0,0,0,0|1,0,1]=4 440 B3R0.2 CC(=O)[O-] 095813 [2,0,0,0,0,0|1,0,1]=4 441 B3R0.2 CC(=O)[O-] 098592 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.2 CC(=O)[O-] 098906 [2,0,0,0,0,0|1,0,1]=4 443 B3R0.2 CC(=O)[O-] 098951 [2,0,0,0,0,0|1,0,1]=4 444 B3R0.2 CC(=O)[O-] 099265 [2,0,0,0,0,0|1,0,1]=4 445 B3R0.2 CC(=O)[O-] 099279 [2,0,0,0,0,0|1,0,1]=4 446 B3R0.2 CC(=O)[O-] 099299 [2,0,0,0,0,0|1,0,1]=4 447 B3R0.2 CC(=O)[O-] 099359 [2,0,0,0,0,0|1,0,1]=4 448 B3R0.2 CC(=O)[O-] 099374 [2,0,0,0,0,0|1,0,1]=4 449 B3R0.2 CC(=O)[O-] 099561 [2,0,0,0,0,0|1,0,1]=4 450 B3R0.2 CC(=O)[O-] 099735 [2,0,0,0,0,0|1,0,1]=4 451 B3R0.2 CC(=O)[O-] 101990 [2,0,0,0,0,0|1,0,1]=4 452 B3R0.2 CC(=O)[O-] 102370 [2,0,0,0,0,0|1,0,1]=4 453 B3R0.2 CC(=O)[O-] 102576 [2,0,0,0,0,0|1,0,1]=4 454 B3R0.2 CC(=O)[O-] 102577 [2,0,0,0,0,0|1,0,1]=4 455 B3R0.2 CC(=O)[O-] 102751 [2,0,0,0,0,0|1,0,1]=4 456 B3R0.2 CC(=O)[O-] 102954 [2,0,0,0,0,0|1,0,1]=4 457 B3R0.2 CC(=O)[O-] 103004 [2,0,0,0,0,0|1,0,1]=4 458 B3R0.2 CC(=O)[O-] 103454 [2,0,0,0,0,0|1,0,1]=4 459 B3R0.2 CC(=O)[O-] 103547 [2,0,0,0,0,0|1,0,1]=4 460 B3R0.2 CC(=O)[O-] 103666 [2,0,0,0,0,0|1,0,1]=4 461 B3R0.2 CC(=O)[O-] 104120 [2,0,0,0,0,0|1,0,1]=4 462 B3R0.2 CC(=O)[O-] 104124 [2,0,0,0,0,0|1,0,1]=4 463 B3R0.2 CC(=O)[O-] 104255 [2,0,0,0,0,0|1,0,1]=4 464 B3R0.2 CC(=O)[O-] 104267 [2,0,0,0,0,0|1,0,1]=4 465 B3R0.2 CC(=O)[O-] 104268 [2,0,0,0,0,0|1,0,1]=4 466 B3R0.2 CC(=O)[O-] 104731 [2,0,0,0,0,0|1,0,1]=4 467 B3R0.2 CC(=O)[O-] 104732 [2,0,0,0,0,0|1,0,1]=4 468 B3R0.2 CC(=O)[O-] 104830 [2,0,0,0,0,0|1,0,1]=4 469 B3R0.2 CC(=O)[O-] 104834 [2,0,0,0,0,0|1,0,1]=4 470 B3R0.2 CC(=O)[O-] 106015 [2,0,0,0,0,0|1,0,1]=4 471 B3R0.2 CC(=O)[O-] 106936 [2,0,0,0,0,0|1,0,1]=4 472 B3R0.2 CC(=O)[O-] 449646 [2,0,0,0,0,0|1,0,1]=4 473 B3R0.2 CC(=O)[O-] 492414 [2,0,0,0,0,0|1,0,1]=4 474 B3R0.2 CC(=O)[O-] 492458 [2,0,0,0,0,0|1,0,1]=4 475 B3R0.2 CC(=O)[O-] 492460 [2,0,0,0,0,0|1,0,1]=4 476 B3R0.2 CC(=O)[O-] 493837 [2,0,0,0,0,0|1,0,1]=4 477 B3R0.2 CC(=O)[O-] 493847 [2,0,0,0,0,0|1,0,1]=4 478 B3R0.2 CC(=O)[O-] 494093 [2,0,0,0,0,0|1,0,1]=4 479 B3R0.2 CC(=O)[O-] 494137 [2,0,0,0,0,0|1,0,1]=4 480 B3R0.2 CC(=O)[O-] 494138 [2,0,0,0,0,0|1,0,1]=4 481 B3R0.2 CC(=O)[O-] 494390 [2,0,0,0,0,0|1,0,1]=4 482 B3R0.2 CC(=O)[S-] 050515 [2,0,0,0,0,0|1,0,1]=4 483 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,0,1]=3 484 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,1]=3 485 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,0,1]=3 486 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,0,1]=3 487 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,0,1]=3 488 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,0,1]=3 489 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,0]=3 490 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,0]=3 491 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,0]=3 492 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,0]=3 493 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,0]=3 494 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,0]=3 495 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,1]=3 496 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,1]=3 497 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,1]=3 498 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,1]=3 499 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,1]=3 500 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,0]=3 501 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,1]=3 502 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,1]=3 503 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,0]=3 504 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 505 B3R0.2 CC(N)=O 044859 [2,0,0,0,0,0|1,0,1]=4 506 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|1,0,0]=3 507 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|1,0,0]=3 508 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|1,0,0]=3 509 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|1,0,0]=3 510 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|1,0,0]=3 511 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|1,0,0]=3 512 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|1,0,0]=3 513 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 514 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,1]=4 515 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|1,0,0]=3 516 B3R0.2 CS(=O)[O-] 001284 [2,0,0,0,0,0|2,0,0]=4 517 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,0]=3 518 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,0]=3 519 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,0]=3 520 B3R0.2 C[N+](=O)[O-] 099354 [2,0,0,0,0,0|2,0,0]=4 521 B3R0.2 C[N+](=O)[O-] 104857 [2,0,0,0,0,0|2,0,0]=4 522 B3R0.2 C[N+](=O)[O-] BR1297 [2,0,0,0,0,0|2,0,0]=4 523 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|1,0,0]=3 524 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 525 B5R0.3 BrCC(Br)CBr 001242 [1,1,0,0,0,0|2,0,0]=4 526 B5R0.3 C=CC(C)C#N 106335 [1,1,0,0,0,0|0,0,2]=4 527 B5R0.3 C=CC(O)CC 464567 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.3 C=CC(O)CO 099464 [1,1,0,0,0,0|1,0,1]=4 529 B5R0.3 CC(CBr)CBr 229847 [1,1,0,0,0,0|1,0,0]=3 530 B5R0.3 CC(CCl)CBr 239837 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.3 CC(CO)CO 242900 [1,1,0,0,0,0|0,0,1]=3 532 B5R0.3 CCC(Br)CC 358240 [1,1,0,0,0,0|1,0,1]=4 533 B5R0.3 CCC(C)C=O 103622 [1,1,0,0,0,0|0,0,0]=2 534 B5R0.3 CCC(C)CC 098988 [1,1,0,0,0,0|0,0,1]=3 535 B5R0.3 CCC(C)CN 013636 [1,1,0,0,0,0|0,0,1]=3 536 B5R0.3 CCC(C)CO 358145 [1,1,0,0,0,0|0,0,1]=3 537 B5R0.3 CCC(C)NN 046283 [1,1,0,0,0,0|1,0,1]=4 538 B5R0.3 CCC(N)CC 094499 [1,1,0,0,0,0|1,0,1]=4 539 B5R0.3 CCC(N)CO 091481 [1,1,0,0,0,0|1,0,1]=4 540 B5R0.3 CCC(O)CC 358049 [1,1,0,0,0,0|1,0,1]=4 541 B5R0.3 CCC(O)CN 002496 [1,1,0,0,0,0|1,0,1]=4 542 B5R0.3 CCN(C)CC 493739 [1,1,0,0,0,0|1,0,1]=4 543 B5R0.3 CC[C@@H](N)CO 012703 [1,1,0,0,0,0|1,0,1]=4 544 B5R0.3 CC[C@H](C)CO 473128 [1,1,0,0,0,0|0,0,1]=3 545 B5R0.3 CC[C@H](N)CO 012704 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.3 COC(C)OC 104486 [1,1,0,0,0,0|1,0,1]=4 547 B5R0.3 C\C=C(/C)C=O 245796 [1,1,0,0,0,0|0,0,1]=3 548 B5R0.3 ClCC(Cl)CCl 099132 [1,1,0,0,0,0|2,0,0]=4 549 B5R0.3 NC(CO)CO 043594 [1,1,0,0,0,0|1,0,1]=4 550 B5R0.3 NCC(O)CN 013503 [1,1,0,0,0,0|2,0,0]=4 551 B5R0.3 NCC(O)CO 093744 [1,1,0,0,0,0|1,0,1]=4 552 B5R0.3 NC[C@@H](O)CO 036807 [1,1,0,0,0,0|1,0,1]=4 553 B5R0.3 NC[C@H](O)CCl 320853 [1,1,0,0,0,0|2,0,0]=4 554 B5R0.3 O=CC(Br)C=O 078260 [1,1,0,0,0,0|1,0,1]=4 555 B5R0.3 OC(CBr)CBr 242654 [1,1,0,0,0,0|2,0,0]=4 556 B5R0.3 OC(CCl)CCl 214775 [1,1,0,0,0,0|2,0,0]=4 557 B5R0.3 OCC(O)CCl 242924 [1,1,0,0,0,0|1,0,1]=4 558 B5R0.3 OCC(O)CO 094580 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.3 OCC(O)CO 102072 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.3 OCC(O)CO 104202 [1,1,0,0,0,0|1,0,1]=4 561 B5R0.3 OCC(O)CS 104512 [1,1,0,0,0,0|1,0,1]=4 562 B5R0.3 OC[C@@H](O)CCl 079187 [1,1,0,0,0,0|1,0,1]=4 563 B5R0.4 BNC(C)(C)C 101999 [1,1,0,0,0,0|2,0,0]=4 564 B5R0.4 C#CC(C)(C)C 134000 [1,1,0,0,0,0|0,0,2]=4 565 B5R0.4 C#CC(C)(C)Cl 009094 [1,1,0,0,0,0|0,0,2]=4 566 B5R0.4 C#CC(C)(C)N 030955 [1,1,0,0,0,0|0,0,2]=4 567 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|0,0,2]=4 568 B5R0.4 C=CC(C)(C)C 098818 [1,1,0,0,0,0|0,0,1]=3 569 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|0,0,1]=3 570 B5R0.4 C=C[Si](C)(C)C S22050 [1,1,0,0,0,0|0,1,1]=4 571 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|1,0,0]=3 572 B5R0.4 CC(C)(C)C#N 350843 [1,1,0,0,0,0|1,0,1]=4 573 B5R0.4 CC(C)(C)C=O 095838 [1,1,0,0,0,0|0,0,0]=2 574 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|1,0,0]=3 575 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|1,0,0]=3 576 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|0,0,1]=3 577 B5R0.4 CC(C)(C)NN 042252 [1,1,0,0,0,0|2,0,0]=4 578 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.4 CC(C)(C)[Mg]Cl 102582 [1,1,0,0,0,0|2,0,0]=4 580 B5R0.4 CC(C)(C)[Mg]Cl 104904 [1,1,0,0,0,0|2,0,0]=4 581 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|1,0,0]=3 582 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|0,0,1]=3 583 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|1,0,1]=4 584 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,0,0]=3 585 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,0,0]=3 586 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|0,0,1]=3 587 B5R0.4 CC(F)(F)CO 034700 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|0,0,1]=3 589 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|0,0,1]=3 590 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|0,0,1]=3 591 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|0,0,1]=3 592 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|0,0,1]=3 593 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|0,0,1]=3 594 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|0,0,1]=3 595 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|0,0,1]=3 596 B5R0.4 CC[Si](C)(C)Cl 005276 [1,1,0,0,0,0|0,1,1]=4 597 B5R0.4 CNC(C)(C)C 024302 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|1,0,1]=4 599 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.4 COC(C)(C)C 099538 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.4 C[Si](C)(C)CBr S02925 [1,1,0,0,0,0|1,1,0]=4 602 B5R0.4 C[Si](C)(C)CCl S04425 [1,1,0,0,0,0|1,1,0]=4 603 B5R0.4 C[Si](C)(C)CI S10025 [1,1,0,0,0,0|1,1,0]=4 604 B5R0.4 C[Si](C)(Cl)CBr S02900 [1,1,0,0,0,0|1,1,0]=4 605 B5R0.4 C[Si](C)(Cl)CCl 005267 [1,1,0,0,0,0|1,1,0]=4 606 B5R0.4 [C-]#[N+]C(C)(C)C 021022 [1,1,0,0,0,0|1,0,1]=4 607 B5R0.5 C=C(C)C(=O)Cl 152770 [1,1,0,0,0,0|0,0,2]=4 608 B5R0.5 C=C(C)C(=O)O 098014 [1,1,0,0,0,0|0,0,2]=4 609 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,1,0,0,0,0|0,0,2]=4 610 B5R0.5 C=C(C)C(C)=O 155400 [1,1,0,0,0,0|0,0,2]=4 611 B5R0.5 C=C(C)C(N)=O 098987 [1,1,0,0,0,0|0,0,2]=4 612 B5R0.5 CC(=O)C(=O)O 168700 [1,1,0,0,0,0|1,0,1]=4 613 B5R0.5 CC(=O)C(=O)[O-] 169520 [1,1,0,0,0,0|1,0,1]=4 614 B5R0.5 CC(=O)C(C)=O 099488 [1,1,0,0,0,0|1,0,1]=4 615 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|0,0,0]=2 616 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|1,0,0]=3 617 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|1,0,0]=3 618 B5R0.5 CC(=O)C(F)F 025165 [1,1,0,0,0,0|2,0,0]=4 619 B5R0.5 CC(=O)N(C)C 044923 [1,1,0,0,0,0|1,0,0]=3 620 B5R0.5 CC(=O)N(C)C 103880 [1,1,0,0,0,0|1,0,0]=3 621 B5R0.5 CC(=O)N(C)C 105121 [1,1,0,0,0,0|1,0,0]=3 622 B5R0.5 CC(Br)C(=O)Br BR1124 [1,1,0,0,0,0|1,0,0]=3 623 B5R0.5 CC(Br)C(=O)O BR1120 [1,1,0,0,0,0|1,0,0]=3 624 B5R0.5 CC(Br)C(C)Br 001074 [1,1,0,0,0,0|1,0,1]=4 625 B5R0.5 CC(Br)C(N)=O 222852 [1,1,0,0,0,0|1,0,0]=3 626 B5R0.5 CC(C)=C(C)C 358426 [1,1,0,0,0,0|1,0,1]=4 627 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|1,0,1]=4 628 B5R0.5 CC(C)C(=N)N 017191 [1,1,0,0,0,0|1,0,0]=3 629 B5R0.5 CC(C)C(=O)Cl 005019 [1,1,0,0,0,0|0,0,0]=2 630 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|0,0,0]=2 631 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|0,0,1]=3 632 B5R0.5 CC(C)C(N)=O 091536 [1,1,0,0,0,0|0,0,0]=2 633 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|1,0,1]=4 634 B5R0.5 CC(C)S(=O)[O-] 035599 [1,1,0,0,0,0|1,0,0]=3 635 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,1,0,0,0,0|1,0,0]=3 636 B5R0.5 CC(Cl)C(=O)Cl 099576 [1,1,0,0,0,0|1,0,0]=3 637 B5R0.5 CC(Cl)C(=O)O 240303 [1,1,0,0,0,0|1,0,0]=3 638 B5R0.5 CC(Cl)C(N)=O 369655 [1,1,0,0,0,0|1,0,0]=3 639 B5R0.5 CC(F)C(=O)O 024847 [1,1,0,0,0,0|1,0,0]=3 640 B5R0.5 CC(N)C(=O)O 094978 [1,1,0,0,0,0|1,0,0]=3 641 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|1,0,0]=3 642 B5R0.5 CC(O)C(=O)[O-] 492494 [1,1,0,0,0,0|1,0,0]=3 643 B5R0.5 CC(O)C(N)=O 341750 [1,1,0,0,0,0|1,0,0]=3 644 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|1,0,0]=3 645 B5R0.5 CN(C)C(=N)N 094628 [1,1,0,0,0,0|2,0,0]=4 646 B5R0.5 CN(C)C(=O)Cl 051099 [1,1,0,0,0,0|1,0,0]=3 647 B5R0.5 CN(C)C(=S)Cl 101947 [1,1,0,0,0,0|1,1,0]=4 648 B5R0.5 CN(C)C(=S)[S-] 180453 [1,1,0,0,0,0|1,1,0]=4 649 B5R0.5 CN(C)C(N)=O 342088 [1,1,0,0,0,0|1,0,0]=3 650 B5R0.5 CN(C)C(N)=S 369470 [1,1,0,0,0,0|1,1,0]=4 651 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,1,0,0,0,0|1,0,0]=3 652 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,1,0,0,0,0|1,0,0]=3 653 B5R0.5 C[C@@H](N)C(N)=O 076723 [1,1,0,0,0,0|1,0,0]=3 654 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|1,0,0]=3 655 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,1,0,0,0,0|1,0,0]=3 656 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,1,0,0,0,0|1,0,0]=3 657 B5R0.5 C[C@@H](O)[C@@H](C)O 044769 [1,1,0,0,0,0|1,0,1]=4 658 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,1,0,0,0,0|1,0,0]=3 659 B5R0.5 C[C@H](Br)[C@@H](C)Br 099264 [1,1,0,0,0,0|1,0,1]=4 660 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,1,0,0,0,0|1,0,0]=3 661 B5R0.5 C[C@H](N)C(=O)O 080323 [1,1,0,0,0,0|1,0,0]=3 662 B5R0.5 C[C@H](N)C(N)=O 092189 [1,1,0,0,0,0|1,0,0]=3 663 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|1,0,0]=3 664 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,1,0,0,0,0|1,0,0]=3 665 B5R0.5 C[C@H](O)[C@@H](C)O 104082 [1,1,0,0,0,0|1,0,1]=4 666 B5R0.5 C[C@H](O)[C@H](C)O 044770 [1,1,0,0,0,0|1,0,1]=4 667 B5R0.5 NC(=O)C(F)Cl 038384 [1,1,0,0,0,0|2,0,0]=4 668 B5R0.5 NC(=O)C(F)F 033531 [1,1,0,0,0,0|2,0,0]=4 669 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [1,1,0,0,0,0|2,0,0]=4 670 B5R0.5 O=C(O)C(Br)Br 103029 [1,1,0,0,0,0|2,0,0]=4 671 B5R0.5 O=C(O)C(Cl)Cl 095059 [1,1,0,0,0,0|2,0,0]=4 672 B5R0.5 O=C(O)C(F)F 001231 [1,1,0,0,0,0|2,0,0]=4 673 B5R0.5 O=C(O)C(F)F 019092 [1,1,0,0,0,0|2,0,0]=4 674 B5R0.5 O=C(O)C(O)O 143700 [1,1,0,0,0,0|2,0,0]=4 675 B5R0.5 O=C([O-])C(Cl)Cl 462644 [1,1,0,0,0,0|2,0,0]=4 676 B5R0.5 O=C([O-])C(F)F 010327 [1,1,0,0,0,0|2,0,0]=4 677 B5R0.2 BrCCCCBr 004638 [1,1,0,0,0,0|1,0,1]=4 678 B5R0.2 C#CCCCC 098932 [1,1,0,0,0,0|1,0,1]=4 679 B5R0.2 C#CCCCCl 120900 [1,1,0,0,0,0|1,0,1]=4 680 B5R0.2 C#CCCCO 164406 [1,1,0,0,0,0|1,0,1]=4 681 B5R0.2 C=CCCC#N 013686 [1,1,0,0,0,0|1,0,1]=4 682 B5R0.2 C=CCCC=C 106336 [1,1,0,0,0,0|1,0,1]=4 683 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|1,0,0]=3 684 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|1,0,0]=3 685 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|1,0,0]=3 686 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|1,0,0]=3 687 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|1,0,0]=3 688 B5R0.2 C=CCNC=O 065354 [1,1,0,0,0,0|0,0,2]=4 689 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|2,0,0]=4 690 B5R0.2 CC#CCCC 145600 [1,1,0,0,0,0|1,0,1]=4 691 B5R0.2 CCCCC#N 386692 [1,1,0,0,0,0|1,0,1]=4 692 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|0,0,0]=2 693 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|0,0,0]=2 694 B5R0.2 CCCCCBr 098930 [1,1,0,0,0,0|1,0,1]=4 695 B5R0.2 CCCCCC 094916 [1,1,0,0,0,0|1,0,1]=4 696 B5R0.2 CCCCCC 099897 [1,1,0,0,0,0|1,0,1]=4 697 B5R0.2 CCCCCC 102229 [1,1,0,0,0,0|1,0,1]=4 698 B5R0.2 CCCCCC 102412 [1,1,0,0,0,0|1,0,1]=4 699 B5R0.2 CCCCCI 349297 [1,1,0,0,0,0|1,0,1]=4 700 B5R0.2 CCCCCN 099587 [1,1,0,0,0,0|1,0,1]=4 701 B5R0.2 CCCCCO 101568 [1,1,0,0,0,0|0,0,2]=4 702 B5R0.2 CCCCNC 098817 [1,1,0,0,0,0|1,0,1]=4 703 B5R0.2 CCCCNN 324841 [1,1,0,0,0,0|1,0,1]=4 704 B5R0.2 CCCC[Zn]Br 213843 [1,1,0,0,0,0|1,0,1]=4 705 B5R0.2 CCCN=C=S 009571 [1,1,0,0,0,0|0,1,1]=4 706 B5R0.2 CCCNCC 099259 [1,1,0,0,0,0|1,0,1]=4 707 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|0,0,1]=3 708 B5R0.2 CCNCCO 094818 [1,1,0,0,0,0|0,0,2]=4 709 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|1,0,1]=4 710 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|1,0,1]=4 711 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|0,0,2]=4 712 B5R0.2 CCSCCCl 001741 [1,1,0,0,0,0|1,0,1]=4 713 B5R0.2 CCSCCN 390974 [1,1,0,0,0,0|1,0,1]=4 714 B5R0.2 CCSCCO 002951 [1,1,0,0,0,0|0,0,2]=4 715 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|0,0,2]=4 716 B5R0.2 CC\C=C\C=O 466581 [1,1,0,0,0,0|0,0,1]=3 717 B5R0.2 CC\C=C\CBr 106316 [1,1,0,0,0,0|1,0,1]=4 718 B5R0.2 CNCCC#N 242856 [1,1,0,0,0,0|1,0,1]=4 719 B5R0.2 CNCCCN 300980 [1,1,0,0,0,0|1,0,1]=4 720 B5R0.2 CNCCCO 239815 [1,1,0,0,0,0|0,0,2]=4 721 B5R0.2 CNCCNC 043850 [1,1,0,0,0,0|2,0,0]=4 722 B5R0.2 CNCCOC 011340 [1,1,0,0,0,0|2,0,0]=4 723 B5R0.2 COCCC#N 154600 [1,1,0,0,0,0|1,0,1]=4 724 B5R0.2 COCCCBr 043598 [1,1,0,0,0,0|1,0,1]=4 725 B5R0.2 COCCCN 242837 [1,1,0,0,0,0|1,0,1]=4 726 B5R0.2 COCCCO 078666 [1,1,0,0,0,0|0,0,2]=4 727 B5R0.2 COCCOC 098861 [1,1,0,0,0,0|2,0,0]=4 728 B5R0.2 COCCOC 106693 [1,1,0,0,0,0|2,0,0]=4 729 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|0,0,0]=2 730 B5R0.2 CSCCCN 103438 [1,1,0,0,0,0|1,0,1]=4 731 B5R0.2 CSCCCO 069294 [1,1,0,0,0,0|0,0,2]=4 732 B5R0.2 C\C=C\OCC 103024 [1,1,0,0,0,0|1,0,1]=4 733 B5R0.2 ClCCCCBr 235481 [1,1,0,0,0,0|1,0,1]=4 734 B5R0.2 ClCCCCCl 099062 [1,1,0,0,0,0|1,0,1]=4 735 B5R0.2 ClCCCCI 242676 [1,1,0,0,0,0|1,0,1]=4 736 B5R0.2 FCCCCBr 001725 [1,1,0,0,0,0|1,0,1]=4 737 B5R0.2 ICCCCI 239851 [1,1,0,0,0,0|1,0,1]=4 738 B5R0.2 N#CCCCBr 001102 [1,1,0,0,0,0|1,0,1]=4 739 B5R0.2 N#CCCCCl 097788 [1,1,0,0,0,0|1,0,1]=4 740 B5R0.2 N#CCCCI 101902 [1,1,0,0,0,0|1,0,1]=4 741 B5R0.2 NCCCCBr 227649 [1,1,0,0,0,0|1,0,1]=4 742 B5R0.2 NCCCCN 098368 [1,1,0,0,0,0|1,0,1]=4 743 B5R0.2 NCCCCO 036678 [1,1,0,0,0,0|0,0,2]=4 744 B5R0.2 O=C=NCCBr 098505 [1,1,0,0,0,0|1,0,1]=4 745 B5R0.2 O=C=NCCCl 067807 [1,1,0,0,0,0|1,0,1]=4 746 B5R0.2 OCCCCBr 036997 [1,1,0,0,0,0|0,0,2]=4 747 B5R0.2 OCCCCCl 097634 [1,1,0,0,0,0|0,0,2]=4 748 B5R0.2 SCCCCS 102622 [1,1,0,0,0,0|0,1,1]=4 749 B5R0.2 [C-]#[N+]CCCC 021027 [1,1,0,0,0,0|1,0,1]=4 750 B7R0.2 C=CC(=O)NC(C)C 046835 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.2 CC(C)C[C@H](N)CO M03441 [0,2,0,0,0,0|0,0,2]=4 752 B7R0.2 CC(C)NC(=O)CCl 307988 [0,2,0,0,0,0|1,0,0]=3 753 B7R0.2 CC(C)NC(=S)NN 018759 [0,2,0,0,0,0|1,1,0]=4 754 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|0,0,0]=2 755 B7R0.2 CCC(C)NC(C)=O 103813 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.2 CNC(=O)CC(C)=O 240984 [0,2,0,0,0,0|1,0,1]=4 757 B7R0.2 COC(=O)C=C(C)C 358413 [0,2,0,0,0,0|0,0,2]=4 758 B7R0.2 COC(=O)CC(=O)Cl 013167 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.2 COC(=O)CC(=O)O 227679 [0,2,0,0,0,0|1,0,1]=4 760 B7R0.2 COC(=O)CC(=O)[O-] 092550 [0,2,0,0,0,0|1,0,1]=4 761 B7R0.2 COC(=O)CC(C)=O 094497 [0,2,0,0,0,0|1,0,1]=4 762 B7R0.2 COC(=O)CC(C)C 046834 [0,2,0,0,0,0|0,0,0]=2 763 B7R0.2 COC(=O)CC(N)=O 323080 [0,2,0,0,0,0|1,0,1]=4 764 B7R0.2 COC(=O)CN(C)C 099922 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,2,0,0,0,0|1,0,0]=3 766 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,2,0,0,0,0|1,0,0]=3 767 B7R0.2 NCC(O)CC(=O)O 093269 [0,2,0,0,0,0|1,0,0]=3 768 B7R0.3 CC(CN)CCCN 098814 [0,2,0,0,0,0|1,0,1]=4 769 B7R0.3 COC(=O)CNC=O 238980 [0,2,0,0,0,0|1,0,1]=4 770 B7R0.5 C=CCC(C)C(=O)O 239804 [0,2,0,0,0,0|1,0,1]=4 771 B7R0.5 CC(NC=O)C(=O)O 329655 [0,2,0,0,0,0|1,0,1]=4 772 B7R0.7 C=CCN(C)CC=C 468301 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.11 COC(C)(C)CCO 242746 [0,2,0,0,0,0|0,0,2]=4 774 B7R0.12 C=CCN(CC)CC 098907 [0,2,0,0,0,0|2,0,0]=4 775 B7R0.12 CNCC(OC)OC 240321 [0,2,0,0,0,0|2,0,0]=4 776 B7R0.12 COC(CC#N)OC 099516 [0,2,0,0,0,0|1,0,1]=4 777 B7R0.12 COC(CCBr)OC 046744 [0,2,0,0,0,0|1,0,1]=4 778 B7R0.12 COCC(OC)OC 152900 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.9 C=C(C)CC(C)(C)C 099019 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.9 C=C(C)C[Si](C)(C)C S11005 [0,2,0,0,0,0|1,1,0]=4 781 B7R0.9 CC(=O)CS(C)(=O)=O 003502 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.9 CC(=O)NC(C)(C)C 342025 [0,2,0,0,0,0|1,0,0]=3 783 B7R0.9 CC(=O)OC(C)(C)C 094033 [0,2,0,0,0,0|1,0,0]=3 784 B7R0.9 CC(=O)O[Si](C)(C)C S00009 [0,2,0,0,0,0|1,1,0]=4 785 B7R0.9 CC(C)(C)CC(=O)Cl 049750 [0,2,0,0,0,0|0,0,0]=2 786 B7R0.9 CC(C)(C)CC(=O)O 078718 [0,2,0,0,0,0|0,0,0]=2 787 B7R0.9 CC(C)(C)CC(Cl)Cl 103313 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.9 CC(C)(C)CC(N)=O 102508 [0,2,0,0,0,0|0,0,0]=2 789 B7R0.9 CC(C)(C)NC(N)=O 342232 [0,2,0,0,0,0|1,0,0]=3 790 B7R0.9 CC(C)(C)NC(N)=S 018344 [0,2,0,0,0,0|1,1,0]=4 791 B7R0.9 CC(C)(C)OC(N)=O 043378 [0,2,0,0,0,0|1,0,0]=3 792 B7R0.9 CC(C)(N)CC(=O)O 023437 [0,2,0,0,0,0|0,0,0]=2 793 B7R0.9 CC(C)CC(C)(C)C 005420 [0,2,0,0,0,0|1,0,1]=4 794 B7R0.9 CC(C)CC(C)(C)C 101606 [0,2,0,0,0,0|1,0,1]=4 795 B7R0.9 CC(C)CS(=O)(=O)Cl 069682 [0,2,0,0,0,0|1,0,0]=3 796 B7R0.9 CC(C)CS(N)(=O)=O 098399 [0,2,0,0,0,0|1,0,0]=3 797 B7R0.9 CC(C)OS(C)(=O)=O 318154 [0,2,0,0,0,0|2,0,0]=4 798 B7R0.9 CS(=O)(=O)CC(=O)O 003739 [0,2,0,0,0,0|2,0,0]=4 799 B7R0.9 O=C(Cl)CC(F)(F)F 094728 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.9 O=C(O)CC(F)(F)F 001558 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.16 CC(=O)C(C)C(C)=O 520882 [0,2,0,0,0,0|1,0,1]=4 802 B7R0.16 CC(=O)C(Cl)C(C)=O 095830 [0,2,0,0,0,0|1,0,1]=4 803 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,2,0,0,0,0|0,0,0]=2 804 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,2,0,0,0,0|0,0,0]=2 805 B7R0.16 CC(C)C(N)C(C)C 214339 [0,2,0,0,0,0|1,0,1]=4 806 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|0,0,0]=2 807 B7R0.16 CC(C)C(O)C(C)C 342202 [0,2,0,0,0,0|1,0,1]=4 808 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,2,0,0,0,0|0,0,0]=2 809 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,2,0,0,0,0|0,0,0]=2 810 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,2,0,0,0,0|0,0,0]=2 811 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,2,0,0,0,0|0,0,0]=2 812 B7R0.16 CN(C)C(=O)C(=O)O 023520 [0,2,0,0,0,0|1,0,1]=4 813 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,2,0,0,0,0|1,0,0]=3 814 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,2,0,0,0,0|1,0,0]=3 815 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,2,0,0,0,0|1,0,0]=3 816 B7R0.13 C#CC(C)(O)C(C)C 103638 [0,2,0,0,0,0|1,0,1]=4 817 B7R0.14 CC(C)(C)C(O)CO 105040 [0,2,0,0,0,0|0,0,2]=4 818 B7R0.14 CC(C)(C)[C@H](N)CO 208674 [0,2,0,0,0,0|0,0,2]=4 819 B7R0.14 CC(CO)C(C)(C)C 102491 [0,2,0,0,0,0|0,0,2]=4 820 B7R0.14 CCC(O)C(C)(C)C 106616 [0,2,0,0,0,0|1,0,1]=4 821 B7R0.4 CC(C)CCNC=O 104304 [0,2,0,0,0,0|0,0,0]=2 822 B7R0.4 CC(C)CCON=O 046832 [0,2,0,0,0,0|0,0,1]=3 823 B7R0.4 CC(C)CNCCN 104760 [0,2,0,0,0,0|1,0,1]=4 824 B7R0.4 CC(C)OCCCN 520884 [0,2,0,0,0,0|1,0,1]=4 825 B7R0.4 CNCCNC(C)C 024580 [0,2,0,0,0,0|1,0,1]=4 826 B7R0.4 COCCNC(C)C 013931 [0,2,0,0,0,0|0,0,2]=4 827 B7R0.6 CC(=O)CCC(=O)O 079484 [0,2,0,0,0,0|1,0,1]=4 828 B7R0.6 CC(=O)CCC(C)=O 494125 [0,2,0,0,0,0|1,0,1]=4 829 B7R0.6 CC(=O)CCC(C)C 106440 [0,2,0,0,0,0|0,0,0]=2 830 B7R0.6 CC(=O)CCN(C)C 043224 [0,2,0,0,0,0|1,0,0]=3 831 B7R0.6 CC(=O)NCC(=O)O 097974 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.6 CC(=O)NCC(C)C 103683 [0,2,0,0,0,0|0,0,0]=2 833 B7R0.6 CC(=O)OCC(=O)O 228175 [0,2,0,0,0,0|1,0,1]=4 834 B7R0.6 CC(=O)OCC(C)C 095004 [0,2,0,0,0,0|0,0,0]=2 835 B7R0.6 CC(=O)\C=C\N(C)C 106573 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.6 CC(C)COC(=O)Cl 046752 [0,2,0,0,0,0|0,0,0]=2 837 B7R0.6 CC(C)SCC(=O)O 311009 [0,2,0,0,0,0|0,0,0]=2 838 B7R0.6 CC(C)\C=C\C(=O)O 011183 [0,2,0,0,0,0|0,0,1]=3 839 B7R0.6 CN(C)CCC(=O)O 046799 [0,2,0,0,0,0|1,0,0]=3 840 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 013147 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.8 C#CCOC(C)(C)C 105507 [0,2,0,0,0,0|1,0,1]=4 842 B7R0.8 C=CCNC(C)(C)C 102065 [0,2,0,0,0,0|1,0,0]=3 843 B7R0.8 C=CCO[Si](C)(C)C 005280 [0,2,0,0,0,0|1,1,0]=4 844 B7R0.8 CC(C)(C)NCCCl 098591 [0,2,0,0,0,0|1,0,1]=4 845 B7R0.8 CC(C)(C)NCCO 116000 [0,2,0,0,0,0|0,0,2]=4 846 B7R0.8 CC(C)(C)OCCO 139800 [0,2,0,0,0,0|0,0,2]=4 847 B7R0.8 CC(C)(C)SCCN 018341 [0,2,0,0,0,0|1,0,1]=4 848 B7R0.8 CNCCC(C)(C)C 104302 [0,2,0,0,0,0|1,0,1]=4 849 B7R0.8 C[Si](C)(C)C#CC=O S20180 [0,2,0,0,0,0|0,1,1]=4 850 B7R0.8 O=COCC(F)(F)F 037821 [0,2,0,0,0,0|2,0,0]=4 851 B5R1.2 BrC1COC1 107040 [1,0,0,1,0,0|1,0,1]=4 852 B5R1.2 BrC1COC1 223475 [1,0,0,1,0,0|1,0,1]=4 853 B5R1.2 IC1COC1 242158 [1,0,0,1,0,0|1,0,1]=4 854 B5R1.2 NC1CCC1 003370 [1,0,0,1,0,0|1,0,1]=4 855 B5R1.2 NC1COC1 320095 [1,0,0,1,0,0|1,0,1]=4 856 B5R1.2 OC1CCC1 003407 [1,0,0,1,0,0|1,0,1]=4 857 B5R1.2 OC1CNC1 013898 [1,0,0,1,0,0|2,0,0]=4 858 B5R1.2 OC1COC1 069085 [1,0,0,1,0,0|1,0,1]=4 859 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|1,0,0]=3 860 B5R1.3 BrCC1CO1 BR1167 [1,0,0,1,0,0|2,0,0]=4 861 B5R1.3 C#CC1CC1 358398 [1,0,0,1,0,0|0,0,2]=4 862 B5R1.3 CCC1CO1 046729 [1,0,0,1,0,0|1,0,1]=4 863 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|1,0,0]=3 864 B5R1.3 ClCC1CO1 095340 [1,0,0,1,0,0|2,0,0]=4 865 B5R1.3 ClC[C@@H]1CO1 023907 [1,0,0,1,0,0|2,0,0]=4 866 B5R1.3 ClC[C@H]1CO1 023906 [1,0,0,1,0,0|2,0,0]=4 867 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|1,0,0]=3 868 B5R1.3 N#CC1CC1 005110 [1,0,0,1,0,0|1,0,1]=4 869 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|1,0,0]=3 870 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|1,0,0]=3 871 B5R1.3 O=CC1CC1 065337 [1,0,0,1,0,0|0,0,0]=2 872 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|0,0,1]=3 873 B5R1.3 OCC1CO1 349304 [1,0,0,1,0,0|1,0,1]=4 874 B5R1.3 OC[C@@H]1CO1 208588 [1,0,0,1,0,0|1,0,1]=4 875 B5R1.3 OC[C@H]1CO1 091841 [1,0,0,1,0,0|1,0,1]=4 876 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|0,0,1]=3 877 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|1,0,0]=3 878 B5R1.1 C1=CCNC1 013932 [1,0,0,1,0,0|2,0,0]=4 879 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|0,0,2]=4 880 B5R1.1 C1CCNC1 080281 [1,0,0,1,0,0|1,0,1]=4 881 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|0,0,2]=4 882 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|0,0,2]=4 883 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|0,0,2]=4 884 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|0,0,2]=4 885 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|0,0,2]=4 886 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|0,0,2]=4 887 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|0,0,2]=4 888 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|0,0,2]=4 889 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|0,0,2]=4 890 B5R1.1 C1CCSC1 019455 [1,0,0,1,0,0|0,1,1]=4 891 B7R1.1 BrCC1CCCC1 036984 [0,1,0,1,0,0|1,0,1]=4 892 B7R1.1 CNC1CCCC1 024973 [0,1,0,1,0,0|1,0,1]=4 893 B7R1.1 COC1CCCC1 094844 [0,1,0,1,0,0|1,0,1]=4 894 B7R1.1 COC1CCCC1 106161 [0,1,0,1,0,0|1,0,1]=4 895 B7R1.1 OCC1CCCC1 067781 [0,1,0,1,0,0|1,0,1]=4 896 B7R1.1 OCC1CCOC1 208614 [0,1,0,1,0,0|0,0,2]=4 897 B7R1.2 CC1=CC(=O)CC1 078668 [0,1,0,1,0,0|0,0,2]=4 898 B7R1.2 CC1=CCC(=O)O1 098871 [0,1,0,1,0,0|1,0,1]=4 899 B7R1.2 CC1=CCC(=O)O1 107050 [0,1,0,1,0,0|1,0,1]=4 900 B7R1.2 CC1=NNC(=O)C1 077205 [0,1,0,1,0,0|1,0,1]=4 901 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,1,0,0|1,0,0]=3 902 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|1,0,0]=3 903 B7R1.2 CC1CCC(O)C1 013642 [0,1,0,1,0,0|0,0,2]=4 904 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,1,0,0|1,0,0]=3 905 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,1,0,0|1,0,0]=3 906 B7R1.2 O=C1CCC(=O)C1 024257 [0,1,0,1,0,0|1,0,1]=4 907 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.2 O=C1OCC(F)O1 098380 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.3 CC1CCCCC1 013924 [0,1,0,1,0,0|1,0,1]=4 911 B7R1.3 CC1CCCCN1 098820 [0,1,0,1,0,0|1,0,1]=4 912 B7R1.3 CC1CCCNC1 095841 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.3 CC1CCNCC1 005025 [0,1,0,1,0,0|1,0,1]=4 914 B7R1.3 CC1CCNCC1 106043 [0,1,0,1,0,0|1,0,1]=4 915 B7R1.3 CC1CNCCN1 023229 [0,1,0,1,0,0|1,0,1]=4 916 B7R1.3 CC1CNCCO1 075555 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.3 CC1COCCN1 093767 [0,1,0,1,0,0|0,0,2]=4 918 B7R1.3 C[C@@H]1CNCCN1 011823 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.3 C[C@H]1CNCCN1 011818 [0,1,0,1,0,0|1,0,1]=4 920 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,1,0,0|1,0,1]=4 921 B7R1.6 CNCC1CCC1 104292 [0,1,0,1,0,0|2,0,0]=4 922 B7R1.10 C=C1CC(C#N)C1 068993 [0,1,0,1,0,0|1,0,1]=4 923 B7R1.25 CC1(CBr)COC1 033204 [0,1,0,1,0,0|2,0,0]=4 924 B7R1.25 CC1(CO)COC1 076843 [0,1,0,1,0,0|2,0,0]=4 925 B7R1.20 CC(=O)NC1CC1 103802 [0,1,0,1,0,0|1,0,0]=3 926 B7R1.20 O=C(O)CC1CC1 003710 [0,1,0,1,0,0|0,0,0]=2 927 B7R1.7 O=C=NCC1CC1 214423 [0,1,0,1,0,0|0,0,1]=3 928 B7R1.7 S=C=NCC1CC1 062552 [0,1,0,1,0,0|0,1,1]=4 929 B7R1.14 CC1(C)COC=N1 094824 [0,1,0,1,0,0|1,0,0]=3 930 B7R1.14 CC1(C)COCN1 535769 [0,1,0,1,0,0|1,0,1]=4 931 B7R1.14 CC1(C)NCCS1 077828 [0,1,0,1,0,0|0,1,1]=4 932 B7R1.14 CC1(C)OCCO1 103483 [0,1,0,1,0,0|0,0,2]=4 933 B7R1.14 CC1(O)CCCC1 078752 [0,1,0,1,0,0|1,0,1]=4 934 B7R2.5 NC12CC(C1)C2 098697 [0,0,0,2,0,0|1,0,1]=4