0 B5R0.1 C#CCC(C)C 104535 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C#CCC(C)O 532537 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C=C(C)OCC 471668 [0,0,0,0,0,0|1,0,3]=4 3 B5R0.1 C=CCC(C)C 106337 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 C=COC(C)=O 098012 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(Br)CCBr BR1240 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(C)=CC=O 386384 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 CC(C)=CCBr 053316 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.1 CC(C)=CCCl 349314 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CC(C)=CCO 358414 [0,0,0,0,0,0|1,0,3]=4 10 B5R0.1 CC(C)CC#N 386919 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CC(C)CC=O 094970 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.1 CC(C)CCBr BR1353 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CC(C)CCI 046949 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CC(C)CCN 097749 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CC(C)CCO 097704 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 CC(C)CCO 103352 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.1 CC(C)CCS 358459 [0,0,0,0,0,0|1,1,1]=3 18 B5R0.1 CC(C)CNN 023508 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 CC(C)N=C=S 008986 [0,0,0,0,0,0|1,1,1]=3 20 B5R0.1 CC(C)NC=O 103706 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CC(C)SC#N 005915 [0,0,0,0,0,0|1,1,1]=3 22 B5R0.1 CC(O)CCO 099380 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.1 CCCC(C)Br 024476 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.1 CCCC(C)Br BR1101 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 CCCC(C)C 098758 [0,0,0,0,0,0|2,0,1]=3 26 B5R0.1 CCCC(C)N 097754 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 CCCC(C)O 099024 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 CCCC(C)S 070734 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 CCC[C@H](C)O 036089 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CCNC(C)C 057128 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 CCOC(C)=N 239394 [0,0,0,0,0,0|2,0,2]=4 32 B5R0.1 CCOC(C)=O 035909 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 CCOC(C)=O 099553 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CCOC(C)=O 099895 [0,0,0,0,0,0|2,0,2]=4 35 B5R0.1 CN(C)CCBr 077959 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 CN(C)CCCl 077638 [0,0,0,0,0,0|3,0,1]=4 37 B5R0.1 CN(C)CCN 043851 [0,0,0,0,0,0|3,0,1]=4 38 B5R0.1 CN(C)CCO 044665 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 CN(C)CCS 450419 [0,0,0,0,0,0|2,1,1]=4 40 B5R0.1 CNCC(C)C 047078 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.1 COCC(C)N 402335 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.1 COCC(C)O 093985 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.1 COC[C@@H](C)N 079780 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 COC[C@@H](C)O 036090 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.1 C[C@@H](N)CCO 092790 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.1 C[C@@H](O)CCO 041923 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.1 C[C@H](N)CCO 092789 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.1 C[C@H](O)CCO 041922 [0,0,0,0,0,0|2,0,2]=4 49 B4R0.1 C#CC(C)C 155700 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 C#CC(C)O 117510 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 C#C[C@@H](C)O 093946 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C#C[C@H](C)O 103262 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.1 C=C(C)C=O 533380 [1,0,0,0,0,0|0,0,2]=3 54 B4R0.1 C=C(C)OC 032479 [1,0,0,0,0,0|0,0,3]=4 55 B4R0.1 C=CC(C)=O 099068 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.1 C=CC(C)Cl 099655 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 C=CC(C)O 099331 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 CC(=O)C=O 069255 [1,0,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(=O)OO 102863 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.1 CC(=O)O[TlH2] 044421 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 CC(Br)C#N 242476 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.1 CC(C)=NO 100400 [1,0,0,0,0,0|1,0,2]=4 63 B4R0.1 CC(C)C#N 095064 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 CC(C)C=O 094969 [1,0,0,0,0,0|0,0,0]=1 65 B4R0.1 CC(C)C=O 102748 [1,0,0,0,0,0|0,0,0]=1 66 B4R0.1 CC(C)CBr 097876 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 CC(C)CI 005441 [1,0,0,0,0,0|1,0,1]=3 68 B4R0.1 CC(C)CN 094648 [1,0,0,0,0,0|1,0,1]=3 69 B4R0.1 CC(C)CO 098794 [1,0,0,0,0,0|0,0,2]=3 70 B4R0.1 CC(C)CS 097785 [1,0,0,0,0,0|0,1,1]=3 71 B4R0.1 CC(C)NN 023478 [1,0,0,0,0,0|2,0,0]=3 72 B4R0.1 CC(C)NO 049798 [1,0,0,0,0,0|1,0,1]=3 73 B4R0.1 CC(C)ON 049806 [1,0,0,0,0,0|1,0,0]=2 74 B4R0.1 CC(C)[Mg]Br 102695 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.1 CC(C)[Mg]Cl 044829 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.1 CC(C)[Mg]Cl 044854 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.1 CC(Cl)C#N 076018 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.1 CC(Cl)CCl 094620 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.1 CC(N)CN 094789 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.1 CC(N)CO 092185 [1,0,0,0,0,0|1,0,2]=4 81 B4R0.1 CC(O)CBr 001137 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.1 CC(O)CN 099022 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.1 CC(O)CO 492646 [1,0,0,0,0,0|1,0,2]=4 84 B4R0.1 CC=C(C)C 102641 [1,0,0,0,0,0|1,0,1]=3 85 B4R0.1 CCC(C)Br 110100 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.1 CCC(C)C 105976 [1,0,0,0,0,0|1,0,1]=3 87 B4R0.1 CCC(C)I 099306 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.1 CCC(C)N 094534 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.1 CCC(C)O 080268 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.1 CCC(C)S 098013 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.1 CCN(C)C 099918 [1,0,0,0,0,0|2,0,1]=4 92 B4R0.1 CC[C@H](C)O 036066 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.1 CN(C)C#N 099034 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.1 CN(C)C=O 035911 [1,0,0,0,0,0|1,0,0]=2 95 B4R0.1 CN(C)C=O 046776 [1,0,0,0,0,0|1,0,0]=2 96 B4R0.1 CN(C)C=O 094267 [1,0,0,0,0,0|1,0,0]=2 97 B4R0.1 CN(C)C=O 099894 [1,0,0,0,0,0|1,0,0]=2 98 B4R0.1 CN(C)C=O 106424 [1,0,0,0,0,0|1,0,0]=2 99 B4R0.1 CN(C)C=S 078450 [1,0,0,0,0,0|1,1,0]=3 100 B4R0.1 CNC(C)C 094496 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.1 CNN(C)C 040144 [1,0,0,0,0,0|2,0,1]=4 102 B4R0.1 COC(C)=O 098761 [1,0,0,0,0,0|1,0,2]=4 103 B4R0.1 COC(Cl)Cl 239032 [1,0,0,0,0,0|2,0,1]=4 104 B4R0.1 CO[SiH](C)C S07285 [1,0,0,0,0,0|0,1,1]=3 105 B4R0.1 C[C@@H](N)CO M03439 [1,0,0,0,0,0|1,0,2]=4 106 B4R0.1 C[C@@H](O)CN 234011 [1,0,0,0,0,0|2,0,1]=4 107 B4R0.1 C[C@@H](O)CO 166900 [1,0,0,0,0,0|1,0,2]=4 108 B4R0.1 C[C@H](N)CO M03438 [1,0,0,0,0,0|1,0,2]=4 109 B4R0.1 C[C@H](O)CN 079460 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.1 C[C@H](O)CO 049743 [1,0,0,0,0,0|1,0,2]=4 111 B4R0.1 C[N+](C)=CBr 099927 [1,0,0,0,0,0|2,0,0]=3 112 B4R0.1 C[N+](C)=CCl 046921 [1,0,0,0,0,0|2,0,0]=3 113 B4R0.1 C[SH](C)BCl 102603 [1,0,0,0,0,0|3,0,0]=4 114 B4R0.1 C[SH](C)[Au]Cl 101972 [1,0,0,0,0,0|3,0,0]=4 115 B4R0.1 O=CC(=O)O 095359 [1,0,0,0,0,0|2,0,1]=4 116 B4R0.2 C#CCCC 164100 [1,0,0,0,0,0|2,0,1]=4 117 B4R0.2 C#COCC 050428 [1,0,0,0,0,0|1,0,1]=3 118 B4R0.2 C=CCCBr 010654 [1,0,0,0,0,0|3,0,0]=4 119 B4R0.2 C=CCCCl 106339 [1,0,0,0,0,0|3,0,0]=4 120 B4R0.2 C=CCCI 103032 [1,0,0,0,0,0|3,0,0]=4 121 B4R0.2 C=CCCO 114900 [1,0,0,0,0,0|3,0,0]=4 122 B4R0.2 C=CCNC 069326 [1,0,0,0,0,0|3,0,0]=4 123 B4R0.2 C=CCSC 106338 [1,0,0,0,0,0|3,0,0]=4 124 B4R0.2 CCCC#N 046731 [1,0,0,0,0,0|2,0,1]=4 125 B4R0.2 CCCC=O 094987 [1,0,0,0,0,0|1,0,0]=2 126 B4R0.2 CCCCBr 098944 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.2 CCCCC 995196 [1,0,0,0,0,0|2,0,1]=4 128 B4R0.2 CCCCI 094442 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 CCCCN 094792 [1,0,0,0,0,0|2,0,1]=4 130 B4R0.2 CCCCO 035921 [1,0,0,0,0,0|1,0,2]=4 131 B4R0.2 CCCCO 075156 [1,0,0,0,0,0|1,0,2]=4 132 B4R0.2 CCCCO 101601 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.2 CCCCS 046727 [1,0,0,0,0,0|1,1,1]=4 134 B4R0.2 CCCC[Mg+] 102041 [1,0,0,0,0,0|2,0,1]=4 135 B4R0.2 CCCC[S-] 104802 [1,0,0,0,0,0|1,1,1]=4 136 B4R0.2 CCCNC 056258 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.2 CCN=C=S 053245 [1,0,0,0,0,0|1,1,1]=4 138 B4R0.2 CCNC=O 099258 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.2 CCNCC 043314 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.2 CCNCC 129100 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 CCOC=N 099169 [1,0,0,0,0,0|1,0,0]=2 142 B4R0.2 CCOC=O 044728 [1,0,0,0,0,0|0,0,0]=1 143 B4R0.2 CCOCC 075236 [1,0,0,0,0,0|1,0,1]=3 144 B4R0.2 CCOCC 099494 [1,0,0,0,0,0|1,0,1]=3 145 B4R0.2 CCOCC 101608 [1,0,0,0,0,0|1,0,1]=3 146 B4R0.2 CCOCC 105564 [1,0,0,0,0,0|1,0,1]=3 147 B4R0.2 CCOCCl 005431 [1,0,0,0,0,0|1,0,1]=3 148 B4R0.2 CC[SiH2]CC S06500 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 CC[Zn]CC 098867 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 CC[Zn]CC 098978 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.2 C\C=C\C=O 245633 [1,0,0,0,0,0|1,0,1]=3 152 B4R0.2 C\C=C\CBr 103776 [1,0,0,0,0,0|3,0,0]=4 153 B4R0.2 C\C=C\CO 103771 [1,0,0,0,0,0|3,0,0]=4 154 B4R0.2 Cl\C=C\CCl 358262 [1,0,0,0,0,0|3,0,0]=4 155 B4R0.2 O=C[N-]C=O 019259 [1,0,0,0,0,0|2,0,1]=4 156 B4R0.2 O=[AlH3]O[AlH3]=O 099830 [1,0,0,0,0,0|3,0,0]=4 157 B4R0.2 O=[AlH3]O[AlH3]=O 099833 [1,0,0,0,0,0|3,0,0]=4 158 B4R0.2 O=[Cr]O[Cr]=O 099302 [1,0,0,0,0,0|3,0,0]=4 159 B4R0.2 O=[Sc]O[Sc]=O 103445 [1,0,0,0,0,0|3,0,0]=4 160 B4R0.2 [Li]CCCC 044819 [1,0,0,0,0,0|2,0,1]=4 161 B6R0.1 C(=O)CC(C)SC 002806 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.1 C=COC(=O)CC 005111 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.1 CCC(C)N=C=O 365573 [0,1,0,0,0,0|1,0,1]=3 164 B6R0.1 CCC(C)N=C=S 008753 [0,1,0,0,0,0|1,1,1]=4 165 B6R0.1 CCC(C)SC#N 024156 [0,1,0,0,0,0|1,1,1]=4 166 B6R0.1 C[C@@H](CO)CCN 103282 [0,1,0,0,0,0|2,0,1]=4 167 B6R0.2 C=C(C)C=C(C)C 104537 [0,1,0,0,0,0|2,0,1]=4 168 B6R0.2 C=C(C)OC(C)=O 101993 [0,1,0,0,0,0|0,0,2]=3 169 B6R0.2 CC(=O)C=C(C)C 098815 [0,1,0,0,0,0|1,0,1]=3 170 B6R0.2 CC(=O)CC(C)=O 100600 [0,1,0,0,0,0|2,0,1]=4 171 B6R0.2 CC(=O)CC(C)C 044985 [0,1,0,0,0,0|1,0,0]=2 172 B6R0.2 CC(=O)CC(C)C 102383 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.2 CC(=O)CC(N)=O 444419 [0,1,0,0,0,0|2,0,1]=4 174 B6R0.2 CC(=O)NC(C)C 208609 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.2 CC(=O)NC(N)=O 349305 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.2 CC(=O)OC(C)=O 035908 [0,1,0,0,0,0|1,0,1]=3 177 B6R0.2 CC(=O)OC(C)=O 099749 [0,1,0,0,0,0|1,0,1]=3 178 B6R0.2 CC(=O)OC(C)C 099370 [0,1,0,0,0,0|0,0,0]=1 179 B6R0.2 CC(=O)[CH-]C(C)=O 450501 [0,1,0,0,0,0|2,0,1]=4 180 B6R0.2 CC(=O)\C=C(\C)[O-] 095827 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.2 CC(=O)\C=C(\C)[O-] 102213 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.2 CC(=O)\C=C(\C)[O-] 103716 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.2 CC(=O)\C=C(\C)[O-] 103741 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.2 CC(=O)\C=C(\C)[O-] 415350 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.2 CC(=O)\C=C(\C)[O-] 494110 [0,1,0,0,0,0|2,0,1]=4 186 B6R0.2 CC(C)=CC(=O)Cl 438394 [0,1,0,0,0,0|1,0,1]=3 187 B6R0.2 CC(C)=CC(=O)O 208603 [0,1,0,0,0,0|1,0,1]=3 188 B6R0.2 CC(C)=NC(C)C 022053 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.2 CC(C)CB(O)O 045297 [0,1,0,0,0,0|2,0,1]=4 190 B6R0.2 CC(C)CC(=O)Cl 520885 [0,1,0,0,0,0|1,0,0]=2 191 B6R0.2 CC(C)CC(=O)O 242835 [0,1,0,0,0,0|1,0,0]=2 192 B6R0.2 CC(C)CC(C)N 214337 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.2 CC(C)CC(C)O 242810 [0,1,0,0,0,0|1,0,2]=4 194 B6R0.2 CC(C)CC(N)=O 342138 [0,1,0,0,0,0|1,0,0]=2 195 B6R0.2 CC(C)CS(=O)[O-] 070723 [0,1,0,0,0,0|2,0,0]=3 196 B6R0.2 CC(C)NC(C)C 005001 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.2 CC(C)NC(C)C 995001 [0,1,0,0,0,0|2,0,1]=4 198 B6R0.2 CC(C)NC(N)=O 101565 [0,1,0,0,0,0|1,0,0]=2 199 B6R0.2 CC(C)NC(N)=S 018760 [0,1,0,0,0,0|1,1,0]=3 200 B6R0.2 CC(C)SC(C)C 105009 [0,1,0,0,0,0|1,1,1]=4 201 B6R0.2 CC(Cl)OC(=O)Cl 019459 [0,1,0,0,0,0|1,0,0]=2 202 B6R0.2 CC(N)CC(=O)O 208617 [0,1,0,0,0,0|2,0,0]=3 203 B6R0.2 CN(C)CC(=O)O 044353 [0,1,0,0,0,0|2,0,0]=3 204 B6R0.2 CN(C)CC(=O)O 216339 [0,1,0,0,0,0|2,0,0]=3 205 B6R0.2 C[C@@H](N)CC(=O)O 034436 [0,1,0,0,0,0|2,0,0]=3 206 B6R0.2 C[C@@H](N)CC(=O)O 078594 [0,1,0,0,0,0|2,0,0]=3 207 B6R0.2 C[SiH](C)O[SiH](C)C 005278 [0,1,0,0,0,0|1,2,0]=4 208 B6R0.3 C#CC(O)C(C)C 104538 [0,1,0,0,0,0|2,0,1]=4 209 B6R0.3 C=CC(=O)N(C)C 046781 [0,1,0,0,0,0|3,0,0]=4 210 B6R0.3 CC(C)C(=O)CBr 079016 [0,1,0,0,0,0|2,0,1]=4 211 B6R0.3 CC(C)C(=O)NN 019317 [0,1,0,0,0,0|3,0,0]=4 212 B6R0.3 CC(C)C(N)CO 323960 [0,1,0,0,0,0|1,0,2]=4 213 B6R0.3 CC(C)[C@@H](N)CO 045548 [0,1,0,0,0,0|1,0,2]=4 214 B6R0.3 CC(C)[C@H](N)CO M03447 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.3 CC(C)\C(N)=N\O 061505 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.3 CCC(=O)C(C)C 386812 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.3 CCC(O)C(C)C 240664 [0,1,0,0,0,0|2,0,1]=4 218 B6R0.3 CNC(=O)C(C)C 541993 [0,1,0,0,0,0|3,0,0]=4 219 B6R0.3 COC(=O)C(C)C 097703 [0,1,0,0,0,0|3,0,0]=4 220 B6R0.4 C=CCOC(C)=O 099570 [0,1,0,0,0,0|2,0,1]=4 221 B6R0.4 C=COCC(C)C 103137 [0,1,0,0,0,0|1,0,0]=2 222 B6R0.4 CC(C)CN=C=O 044447 [0,1,0,0,0,0|1,0,1]=3 223 B6R0.4 CC(C)CN=C=S 008985 [0,1,0,0,0,0|1,1,1]=4 224 B6R0.4 CC(C)CON=O 099090 [0,1,0,0,0,0|1,0,0]=2 225 B6R0.4 CC(C)NCCO 069257 [0,1,0,0,0,0|1,0,2]=4 226 B6R0.4 CC(C)OCCO 150900 [0,1,0,0,0,0|0,0,2]=3 227 B6R0.4 CN(C)\C=C\C=O 044782 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.4 CNCCC(C)C 321590 [0,1,0,0,0,0|2,0,1]=4 229 B6R0.5 C(=O)CC(F)(F)F 008676 [0,1,0,0,0,0|3,0,0]=4 230 B6R0.5 C=CC[Si](C)(C)C 005255 [0,1,0,0,0,0|2,1,0]=4 231 B6R0.5 C=CC[Si](C)(C)Cl S00225 [0,1,0,0,0,0|2,1,0]=4 232 B6R0.5 CC#CC(C)(C)O 103636 [0,1,0,0,0,0|2,0,1]=4 233 B6R0.5 CC(C)(Br)CCBr 105278 [0,1,0,0,0,0|2,0,1]=4 234 B6R0.5 CC(C)(C)CC=O 049850 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.5 CC(C)(C)CCBr 240396 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.5 CC(C)(C)CCI 104243 [0,1,0,0,0,0|2,0,1]=4 237 B6R0.5 CC(C)(C)CCO 092664 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.5 CC(C)(C)N=C=O 541836 [0,1,0,0,0,0|1,0,1]=3 239 B6R0.5 CC(C)(C)N=C=S 008754 [0,1,0,0,0,0|1,1,1]=4 240 B6R0.5 CC(C)(C)NC=O 103226 [0,1,0,0,0,0|1,0,0]=2 241 B6R0.5 CC(C)(C)OC=O 094630 [0,1,0,0,0,0|0,0,0]=1 242 B6R0.5 CC(C)(C)ON=O 050767 [0,1,0,0,0,0|1,0,0]=2 243 B6R0.5 CC(C)(Cl)CCCl 106056 [0,1,0,0,0,0|2,0,1]=4 244 B6R0.5 CC(C)(O)CC#N 372096 [0,1,0,0,0,0|2,0,1]=4 245 B6R0.5 CC(C)(O)CCO 099109 [0,1,0,0,0,0|1,0,2]=4 246 B6R0.5 CCCC(C)(C)O 356177 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.5 CCO[Si](C)(C)C S08635 [0,1,0,0,0,0|1,1,1]=4 248 B6R0.5 CNCC(C)(C)O 323417 [0,1,0,0,0,0|3,0,0]=4 249 B6R0.5 COCC(C)(C)N 044656 [0,1,0,0,0,0|3,0,0]=4 250 B6R0.5 COCC(C)(C)O 304271 [0,1,0,0,0,0|3,0,0]=4 251 B6R0.5 C\C=N\C(C)(C)C 241850 [0,1,0,0,0,0|2,0,0]=3 252 B6R1.2 CC1=CC=CO1 463359 [0,0,0,1,0,0|1,0,2]=4 253 B6R1.2 CC1CCCC1 101560 [0,0,0,1,0,0|2,0,1]=4 254 B6R1.2 CC1CCCO1 094054 [0,0,0,1,0,0|1,0,1]=3 255 B6R1.2 NC1CC=CC1 011352 [0,0,0,1,0,0|3,0,0]=4 256 B6R1.2 OC1CC=CC1 011661 [0,0,0,1,0,0|3,0,0]=4 257 B6R1.3 CNCC1CC1 065548 [0,0,0,1,0,0|3,0,0]=4 258 B6R1.3 N#CCC1CC1 003711 [0,0,0,1,0,0|2,0,1]=4 259 B6R1.3 O=C=NC1CC1 075691 [0,0,0,1,0,0|1,0,1]=3 260 B6R1.3 O=CNC1CC1 237812 [0,0,0,1,0,0|1,0,0]=2 261 B6R1.3 S=C=NC1CC1 008786 [0,0,0,1,0,0|1,1,1]=4 262 B3R0.1 C=CCBr BR1119 [2,0,0,0,0,0|2,0,0]=4 263 B3R0.1 C=CCC 098927 [2,0,0,0,0,0|1,0,0]=3 264 B3R0.1 C=CCCl 094723 [2,0,0,0,0,0|2,0,0]=4 265 B3R0.1 C=CCI 001263 [2,0,0,0,0,0|2,0,0]=4 266 B3R0.1 C=CCN 099131 [2,0,0,0,0,0|2,0,0]=4 267 B3R0.1 C=CCO 099676 [2,0,0,0,0,0|2,0,0]=4 268 B3R0.1 C=CCS 099583 [2,0,0,0,0,0|2,0,0]=4 269 B3R0.1 CCC#N 094907 [2,0,0,0,0,0|1,0,1]=4 270 B3R0.1 CCC=O 094974 [2,0,0,0,0,0|0,0,0]=2 271 B3R0.1 CCCBr BR1117 [2,0,0,0,0,0|1,0,1]=4 272 B3R0.1 CCCI 005438 [2,0,0,0,0,0|1,0,1]=4 273 B3R0.1 CCCN 101445 [2,0,0,0,0,0|1,0,1]=4 274 B3R0.1 CCCO 098913 [2,0,0,0,0,0|0,0,2]=4 275 B3R0.1 CCCO 102042 [2,0,0,0,0,0|0,0,2]=4 276 B3R0.1 CCCS 098010 [2,0,0,0,0,0|0,1,1]=4 277 B3R0.1 CCC[S-] 104640 [2,0,0,0,0,0|0,1,1]=4 278 B3R0.1 CCNC 044624 [2,0,0,0,0,0|1,0,1]=4 279 B3R0.1 CCON 092211 [2,0,0,0,0,0|1,0,0]=3 280 B3R0.1 CNC=O 098971 [2,0,0,0,0,0|1,0,0]=3 281 B3R0.1 CNOC 023913 [2,0,0,0,0,0|1,0,1]=4 282 B3R0.1 COC=O 101914 [2,0,0,0,0,0|0,0,0]=2 283 B3R0.1 COCBr 005432 [2,0,0,0,0,0|1,0,1]=4 284 B3R0.1 C\C=C/C 105248 [2,0,0,0,0,0|1,0,1]=4 285 B3R0.1 C\C=C\C 102601 [2,0,0,0,0,0|1,0,1]=4 286 B3R0.1 NNC=O 099623 [2,0,0,0,0,0|2,0,0]=4 287 B3R0.1 O=BOO 094453 [2,0,0,0,0,0|2,0,0]=4 288 B3R0.1 O=CC=O 094007 [2,0,0,0,0,0|1,0,1]=4 289 B3R0.1 O=CCCl 098847 [2,0,0,0,0,0|1,0,0]=3 290 B3R0.1 [2H]OCC 101892 [2,0,0,0,0,0|1,0,0]=3 291 B3R0.2 C(C)(F)F 004814 [2,0,0,0,0,0|2,0,0]=4 292 B3R0.2 C=C(C)Br 098357 [2,0,0,0,0,0|1,0,1]=4 293 B3R0.2 C=C(C)C 102139 [2,0,0,0,0,0|0,0,1]=3 294 B3R0.2 C=[N+](C)C 051246 [2,0,0,0,0,0|1,0,0]=3 295 B3R0.2 CB(O)O 214665 [2,0,0,0,0,0|2,0,0]=4 296 B3R0.2 CC(=O)Br 003920 [2,0,0,0,0,0|1,0,1]=4 297 B3R0.2 CC(=O)Cl 094104 [2,0,0,0,0,0|1,0,1]=4 298 B3R0.2 CC(=O)O 035907 [2,0,0,0,0,0|1,0,1]=4 299 B3R0.2 CC(=O)O 043868 [2,0,0,0,0,0|1,0,1]=4 300 B3R0.2 CC(=O)O 044721 [2,0,0,0,0,0|1,0,1]=4 301 B3R0.2 CC(=O)O 101598 [2,0,0,0,0,0|1,0,1]=4 302 B3R0.2 CC(=O)O 104750 [2,0,0,0,0,0|1,0,1]=4 303 B3R0.2 CC(=O)O 106044 [2,0,0,0,0,0|1,0,1]=4 304 B3R0.2 CC(=O)O 106057 [2,0,0,0,0,0|1,0,1]=4 305 B3R0.2 CC(=O)O 106058 [2,0,0,0,0,0|1,0,1]=4 306 B3R0.2 CC(=O)O 106164 [2,0,0,0,0,0|1,0,1]=4 307 B3R0.2 CC(=O)S 094692 [2,0,0,0,0,0|1,0,1]=4 308 B3R0.2 CC(=O)[O-] 044838 [2,0,0,0,0,0|1,0,1]=4 309 B3R0.2 CC(=O)[O-] 050331 [2,0,0,0,0,0|1,0,1]=4 310 B3R0.2 CC(=O)[O-] 095373 [2,0,0,0,0,0|1,0,1]=4 311 B3R0.2 CC(=O)[O-] 095810 [2,0,0,0,0,0|1,0,1]=4 312 B3R0.2 CC(=O)[O-] 095811 [2,0,0,0,0,0|1,0,1]=4 313 B3R0.2 CC(=O)[O-] 095813 [2,0,0,0,0,0|1,0,1]=4 314 B3R0.2 CC(=O)[O-] 098592 [2,0,0,0,0,0|1,0,1]=4 315 B3R0.2 CC(=O)[O-] 098906 [2,0,0,0,0,0|1,0,1]=4 316 B3R0.2 CC(=O)[O-] 098951 [2,0,0,0,0,0|1,0,1]=4 317 B3R0.2 CC(=O)[O-] 099265 [2,0,0,0,0,0|1,0,1]=4 318 B3R0.2 CC(=O)[O-] 099279 [2,0,0,0,0,0|1,0,1]=4 319 B3R0.2 CC(=O)[O-] 099299 [2,0,0,0,0,0|1,0,1]=4 320 B3R0.2 CC(=O)[O-] 099359 [2,0,0,0,0,0|1,0,1]=4 321 B3R0.2 CC(=O)[O-] 099374 [2,0,0,0,0,0|1,0,1]=4 322 B3R0.2 CC(=O)[O-] 099561 [2,0,0,0,0,0|1,0,1]=4 323 B3R0.2 CC(=O)[O-] 099735 [2,0,0,0,0,0|1,0,1]=4 324 B3R0.2 CC(=O)[O-] 101990 [2,0,0,0,0,0|1,0,1]=4 325 B3R0.2 CC(=O)[O-] 102370 [2,0,0,0,0,0|1,0,1]=4 326 B3R0.2 CC(=O)[O-] 102576 [2,0,0,0,0,0|1,0,1]=4 327 B3R0.2 CC(=O)[O-] 102577 [2,0,0,0,0,0|1,0,1]=4 328 B3R0.2 CC(=O)[O-] 102751 [2,0,0,0,0,0|1,0,1]=4 329 B3R0.2 CC(=O)[O-] 102954 [2,0,0,0,0,0|1,0,1]=4 330 B3R0.2 CC(=O)[O-] 103004 [2,0,0,0,0,0|1,0,1]=4 331 B3R0.2 CC(=O)[O-] 103454 [2,0,0,0,0,0|1,0,1]=4 332 B3R0.2 CC(=O)[O-] 103547 [2,0,0,0,0,0|1,0,1]=4 333 B3R0.2 CC(=O)[O-] 103666 [2,0,0,0,0,0|1,0,1]=4 334 B3R0.2 CC(=O)[O-] 104120 [2,0,0,0,0,0|1,0,1]=4 335 B3R0.2 CC(=O)[O-] 104124 [2,0,0,0,0,0|1,0,1]=4 336 B3R0.2 CC(=O)[O-] 104255 [2,0,0,0,0,0|1,0,1]=4 337 B3R0.2 CC(=O)[O-] 104267 [2,0,0,0,0,0|1,0,1]=4 338 B3R0.2 CC(=O)[O-] 104268 [2,0,0,0,0,0|1,0,1]=4 339 B3R0.2 CC(=O)[O-] 104731 [2,0,0,0,0,0|1,0,1]=4 340 B3R0.2 CC(=O)[O-] 104732 [2,0,0,0,0,0|1,0,1]=4 341 B3R0.2 CC(=O)[O-] 104830 [2,0,0,0,0,0|1,0,1]=4 342 B3R0.2 CC(=O)[O-] 104834 [2,0,0,0,0,0|1,0,1]=4 343 B3R0.2 CC(=O)[O-] 106015 [2,0,0,0,0,0|1,0,1]=4 344 B3R0.2 CC(=O)[O-] 106936 [2,0,0,0,0,0|1,0,1]=4 345 B3R0.2 CC(=O)[O-] 449646 [2,0,0,0,0,0|1,0,1]=4 346 B3R0.2 CC(=O)[O-] 492414 [2,0,0,0,0,0|1,0,1]=4 347 B3R0.2 CC(=O)[O-] 492458 [2,0,0,0,0,0|1,0,1]=4 348 B3R0.2 CC(=O)[O-] 492460 [2,0,0,0,0,0|1,0,1]=4 349 B3R0.2 CC(=O)[O-] 493837 [2,0,0,0,0,0|1,0,1]=4 350 B3R0.2 CC(=O)[O-] 493847 [2,0,0,0,0,0|1,0,1]=4 351 B3R0.2 CC(=O)[O-] 494093 [2,0,0,0,0,0|1,0,1]=4 352 B3R0.2 CC(=O)[O-] 494137 [2,0,0,0,0,0|1,0,1]=4 353 B3R0.2 CC(=O)[O-] 494138 [2,0,0,0,0,0|1,0,1]=4 354 B3R0.2 CC(=O)[O-] 494390 [2,0,0,0,0,0|1,0,1]=4 355 B3R0.2 CC(=O)[S-] 050515 [2,0,0,0,0,0|1,0,1]=4 356 B3R0.2 CC(C)=O 035905 [2,0,0,0,0,0|0,0,1]=3 357 B3R0.2 CC(C)=O 050332 [2,0,0,0,0,0|0,0,1]=3 358 B3R0.2 CC(C)=O 099892 [2,0,0,0,0,0|0,0,1]=3 359 B3R0.2 CC(C)=O 102148 [2,0,0,0,0,0|0,0,1]=3 360 B3R0.2 CC(C)=O 102613 [2,0,0,0,0,0|0,0,1]=3 361 B3R0.2 CC(C)=O 103138 [2,0,0,0,0,0|0,0,1]=3 362 B3R0.2 CC(C)Br BR1118 [2,0,0,0,0,0|1,0,0]=3 363 B3R0.2 CC(C)Cl 438389 [2,0,0,0,0,0|1,0,0]=3 364 B3R0.2 CC(C)I 094561 [2,0,0,0,0,0|1,0,0]=3 365 B3R0.2 CC(C)N 046833 [2,0,0,0,0,0|1,0,0]=3 366 B3R0.2 CC(C)N 094589 [2,0,0,0,0,0|1,0,0]=3 367 B3R0.2 CC(C)N 102424 [2,0,0,0,0,0|1,0,0]=3 368 B3R0.2 CC(C)O 035913 [2,0,0,0,0,0|0,0,0]=2 369 B3R0.2 CC(C)O 098379 [2,0,0,0,0,0|0,0,0]=2 370 B3R0.2 CC(C)O 102166 [2,0,0,0,0,0|0,0,0]=2 371 B3R0.2 CC(C)O 102226 [2,0,0,0,0,0|0,0,0]=2 372 B3R0.2 CC(C)O 105811 [2,0,0,0,0,0|0,0,0]=2 373 B3R0.2 CC(C)S 098993 [2,0,0,0,0,0|0,1,0]=3 374 B3R0.2 CC(C)[O-] 098874 [2,0,0,0,0,0|0,0,1]=3 375 B3R0.2 CC(C)[O-] 099441 [2,0,0,0,0,0|0,0,1]=3 376 B3R0.2 CC(C)[S-] 103566 [2,0,0,0,0,0|0,1,0]=3 377 B3R0.2 CC(Cl)Cl 047063 [2,0,0,0,0,0|2,0,0]=4 378 B3R0.2 CC(N)=O 044859 [2,0,0,0,0,0|1,0,1]=4 379 B3R0.2 CN(C)C 094483 [2,0,0,0,0,0|1,0,1]=4 380 B3R0.2 CN(C)C 099336 [2,0,0,0,0,0|1,0,1]=4 381 B3R0.2 CN(C)C 101873 [2,0,0,0,0,0|1,0,1]=4 382 B3R0.2 CN(C)C 102008 [2,0,0,0,0,0|1,0,1]=4 383 B3R0.2 CN(C)C 102395 [2,0,0,0,0,0|1,0,1]=4 384 B3R0.2 CN(C)C 102396 [2,0,0,0,0,0|1,0,1]=4 385 B3R0.2 CN(C)C 358045 [2,0,0,0,0,0|1,0,1]=4 386 B3R0.2 CN(C)N 245913 [2,0,0,0,0,0|2,0,0]=4 387 B3R0.2 CN(C)O 104141 [2,0,0,0,0,0|1,0,0]=3 388 B3R0.2 CP(C)C 104924 [2,0,0,0,0,0|1,0,1]=4 389 B3R0.2 CS(=O)[O-] 001284 [2,0,0,0,0,0|2,0,0]=4 390 B3R0.2 CS(C)=O 046777 [2,0,0,0,0,0|1,0,0]=3 391 B3R0.2 CS(C)=O 099368 [2,0,0,0,0,0|1,0,0]=3 392 B3R0.2 CS(C)=O 102741 [2,0,0,0,0,0|1,0,0]=3 393 B3R0.2 C[N+](=O)[O-] 099354 [2,0,0,0,0,0|2,0,0]=4 394 B3R0.2 C[N+](=O)[O-] 104857 [2,0,0,0,0,0|2,0,0]=4 395 B3R0.2 C[N+](=O)[O-] BR1297 [2,0,0,0,0,0|2,0,0]=4 396 B3R0.2 C[S+](C)C 175000 [2,0,0,0,0,0|1,0,1]=4 397 B3R0.2 C[SiH](C)Cl S06975 [2,0,0,0,0,0|1,1,0]=4 398 B5R0.3 C=CC(C)C#N 106335 [1,1,0,0,0,0|1,0,1]=4 399 B5R0.3 C=CC(O)CC 464567 [1,1,0,0,0,0|2,0,0]=4 400 B5R0.3 C=CC(O)CO 099464 [1,1,0,0,0,0|2,0,0]=4 401 B5R0.3 CC(CBr)CBr 229847 [1,1,0,0,0,0|1,0,1]=4 402 B5R0.3 CC(CCl)CBr 239837 [1,1,0,0,0,0|1,0,1]=4 403 B5R0.3 CC(CO)CO 242900 [1,1,0,0,0,0|0,0,2]=4 404 B5R0.3 CCC(C)C=O 103622 [1,1,0,0,0,0|0,0,0]=2 405 B5R0.3 CCC(C)CC 098988 [1,1,0,0,0,0|1,0,1]=4 406 B5R0.3 CCC(C)CN 013636 [1,1,0,0,0,0|1,0,1]=4 407 B5R0.3 CCC(C)CO 358145 [1,1,0,0,0,0|0,0,2]=4 408 B5R0.3 CCC(C)NN 046283 [1,1,0,0,0,0|2,0,0]=4 409 B5R0.3 CC[C@H](C)CO 473128 [1,1,0,0,0,0|0,0,2]=4 410 B5R0.3 COC(C)OC 104486 [1,1,0,0,0,0|0,0,1]=3 411 B5R0.3 C\C=C(/C)C=O 245796 [1,1,0,0,0,0|0,0,1]=3 412 B5R0.3 O=CC(Br)C=O 078260 [1,1,0,0,0,0|1,0,1]=4 413 B5R0.4 BNC(C)(C)C 101999 [1,1,0,0,0,0|2,0,0]=4 414 B5R0.4 C#CC(C)(C)C 134000 [1,1,0,0,0,0|1,0,1]=4 415 B5R0.4 C#CC(C)(C)Cl 009094 [1,1,0,0,0,0|1,0,1]=4 416 B5R0.4 C#CC(C)(C)N 030955 [1,1,0,0,0,0|1,0,1]=4 417 B5R0.4 C#CC(C)(C)O 077701 [1,1,0,0,0,0|1,0,1]=4 418 B5R0.4 C=CC(C)(C)C 098818 [1,1,0,0,0,0|1,0,0]=3 419 B5R0.4 C=CC(C)(C)O 051281 [1,1,0,0,0,0|1,0,0]=3 420 B5R0.4 C=C[Si](C)(C)C S22050 [1,1,0,0,0,0|1,1,0]=4 421 B5R0.4 CC(C)(Br)CBr 003878 [1,1,0,0,0,0|1,0,1]=4 422 B5R0.4 CC(C)(C)C#N 350843 [1,1,0,0,0,0|1,0,1]=4 423 B5R0.4 CC(C)(C)C=O 095838 [1,1,0,0,0,0|0,0,0]=2 424 B5R0.4 CC(C)(C)CI 099189 [1,1,0,0,0,0|1,0,1]=4 425 B5R0.4 CC(C)(C)CN 160000 [1,1,0,0,0,0|1,0,1]=4 426 B5R0.4 CC(C)(C)CO 094979 [1,1,0,0,0,0|0,0,2]=4 427 B5R0.4 CC(C)(C)NN 042252 [1,1,0,0,0,0|2,0,0]=4 428 B5R0.4 CC(C)(C)NO 069319 [1,1,0,0,0,0|1,0,1]=4 429 B5R0.4 CC(C)(C)[Mg]Cl 102582 [1,1,0,0,0,0|2,0,0]=4 430 B5R0.4 CC(C)(C)[Mg]Cl 104904 [1,1,0,0,0,0|2,0,0]=4 431 B5R0.4 CC(C)(N)CN 051242 [1,1,0,0,0,0|1,0,1]=4 432 B5R0.4 CC(C)(N)CO 094438 [1,1,0,0,0,0|0,0,2]=4 433 B5R0.4 CC(C)(O)C#N 102614 [1,1,0,0,0,0|1,0,1]=4 434 B5R0.4 CC(C)(O)CCl 120400 [1,1,0,0,0,0|1,0,1]=4 435 B5R0.4 CC(C)(O)CN 041912 [1,1,0,0,0,0|1,0,1]=4 436 B5R0.4 CC(C)(O)CO 080226 [1,1,0,0,0,0|0,0,2]=4 437 B5R0.4 CCC(C)(C)Br 005914 [1,1,0,0,0,0|1,0,1]=4 438 B5R0.4 CCC(C)(C)N 102046 [1,1,0,0,0,0|1,0,1]=4 439 B5R0.4 CCC(C)(C)O 094937 [1,1,0,0,0,0|1,0,1]=4 440 B5R0.4 CCC(C)(C)O 094938 [1,1,0,0,0,0|1,0,1]=4 441 B5R0.4 CCC(C)(C)O 098852 [1,1,0,0,0,0|1,0,1]=4 442 B5R0.4 CCC(C)(C)[O-] 094579 [1,1,0,0,0,0|1,0,1]=4 443 B5R0.4 CCC(C)(C)[O-] 104770 [1,1,0,0,0,0|1,0,1]=4 444 B5R0.4 CCC(C)(C)[O-] 105003 [1,1,0,0,0,0|1,0,1]=4 445 B5R0.4 CNC(C)(C)C 024302 [1,1,0,0,0,0|1,0,1]=4 446 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|0,0,1]=3 447 B5R0.4 COC(C)(C)C 044713 [1,1,0,0,0,0|0,0,1]=3 448 B5R0.4 COC(C)(C)C 099538 [1,1,0,0,0,0|0,0,1]=3 449 B5R0.4 CO[Si](C)(C)C S10974 [1,1,0,0,0,0|0,1,1]=4 450 B5R0.4 [C-]#[N+]C(C)(C)C 021022 [1,1,0,0,0,0|1,0,1]=4 451 B5R0.5 C=C(C)C(=O)Cl 152770 [1,1,0,0,0,0|0,0,2]=4 452 B5R0.5 C=C(C)C(=O)O 098014 [1,1,0,0,0,0|0,0,2]=4 453 B5R0.5 C=C(C)C(=O)[O-] 461655 [1,1,0,0,0,0|0,0,2]=4 454 B5R0.5 C=C(C)C(C)=O 155400 [1,1,0,0,0,0|0,0,2]=4 455 B5R0.5 C=C(C)C(N)=O 098987 [1,1,0,0,0,0|0,0,2]=4 456 B5R0.5 CC(=O)C(=O)O 168700 [1,1,0,0,0,0|1,0,1]=4 457 B5R0.5 CC(=O)C(=O)[O-] 169520 [1,1,0,0,0,0|1,0,1]=4 458 B5R0.5 CC(=O)C(C)=O 099488 [1,1,0,0,0,0|1,0,1]=4 459 B5R0.5 CC(=O)C(C)C 098965 [1,1,0,0,0,0|0,0,0]=2 460 B5R0.5 CC(=O)C(C)Cl 520345 [1,1,0,0,0,0|1,0,0]=3 461 B5R0.5 CC(=O)C(C)O 449308 [1,1,0,0,0,0|1,0,0]=3 462 B5R0.5 CC(=O)C(F)F 025165 [1,1,0,0,0,0|2,0,0]=4 463 B5R0.5 CC(=O)N(C)C 044923 [1,1,0,0,0,0|1,0,0]=3 464 B5R0.5 CC(=O)N(C)C 103880 [1,1,0,0,0,0|1,0,0]=3 465 B5R0.5 CC(=O)N(C)C 105121 [1,1,0,0,0,0|1,0,0]=3 466 B5R0.5 CC(Br)C(=O)Br BR1124 [1,1,0,0,0,0|1,0,0]=3 467 B5R0.5 CC(Br)C(=O)O BR1120 [1,1,0,0,0,0|1,0,0]=3 468 B5R0.5 CC(Br)C(N)=O 222852 [1,1,0,0,0,0|1,0,0]=3 469 B5R0.5 CC(C)=C(C)C 358426 [1,1,0,0,0,0|1,0,1]=4 470 B5R0.5 CC(C)B(O)O 065614 [1,1,0,0,0,0|1,0,1]=4 471 B5R0.5 CC(C)C(=N)N 017191 [1,1,0,0,0,0|1,0,0]=3 472 B5R0.5 CC(C)C(=O)Cl 005019 [1,1,0,0,0,0|0,0,0]=2 473 B5R0.5 CC(C)C(=O)O 099395 [1,1,0,0,0,0|0,0,0]=2 474 B5R0.5 CC(C)C(C)C 101556 [1,1,0,0,0,0|1,0,1]=4 475 B5R0.5 CC(C)C(N)=O 091536 [1,1,0,0,0,0|0,0,0]=2 476 B5R0.5 CC(C)N(C)C 103843 [1,1,0,0,0,0|1,0,1]=4 477 B5R0.5 CC(C)S(=O)[O-] 035599 [1,1,0,0,0,0|0,1,0]=3 478 B5R0.5 CC(C)[N+](=O)[O-] 098355 [1,1,0,0,0,0|1,0,0]=3 479 B5R0.5 CC(Cl)C(=O)Cl 099576 [1,1,0,0,0,0|1,0,0]=3 480 B5R0.5 CC(Cl)C(=O)O 240303 [1,1,0,0,0,0|1,0,0]=3 481 B5R0.5 CC(Cl)C(N)=O 369655 [1,1,0,0,0,0|1,0,0]=3 482 B5R0.5 CC(F)C(=O)O 024847 [1,1,0,0,0,0|1,0,0]=3 483 B5R0.5 CC(N)C(=O)O 094978 [1,1,0,0,0,0|1,0,0]=3 484 B5R0.5 CC(O)C(=O)O 995229 [1,1,0,0,0,0|1,0,0]=3 485 B5R0.5 CC(O)C(=O)[O-] 492494 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.5 CC(O)C(N)=O 341750 [1,1,0,0,0,0|1,0,0]=3 487 B5R0.5 CC(S)C(=O)O 520330 [1,1,0,0,0,0|1,0,0]=3 488 B5R0.5 CN(C)C(=N)N 094628 [1,1,0,0,0,0|2,0,0]=4 489 B5R0.5 CN(C)C(=O)Cl 051099 [1,1,0,0,0,0|1,0,0]=3 490 B5R0.5 CN(C)C(=S)Cl 101947 [1,1,0,0,0,0|1,1,0]=4 491 B5R0.5 CN(C)C(=S)[S-] 180453 [1,1,0,0,0,0|1,1,0]=4 492 B5R0.5 CN(C)C(N)=O 342088 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.5 CN(C)C(N)=S 369470 [1,1,0,0,0,0|1,1,0]=4 494 B5R0.5 C[C@@H](Cl)C(=O)O 019482 [1,1,0,0,0,0|1,0,0]=3 495 B5R0.5 C[C@@H](N)C(=O)O M02932 [1,1,0,0,0,0|1,0,0]=3 496 B5R0.5 C[C@@H](N)C(N)=O 076723 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.5 C[C@@H](O)C(=O)O 208594 [1,1,0,0,0,0|1,0,0]=3 498 B5R0.5 C[C@@H](O)C(=O)[O-] 103154 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.5 C[C@@H](O)C(N)=O 094768 [1,1,0,0,0,0|1,0,0]=3 500 B5R0.5 C[C@H](Br)C(=O)O 094052 [1,1,0,0,0,0|1,0,0]=3 501 B5R0.5 C[C@H](Cl)C(=O)O 216004 [1,1,0,0,0,0|1,0,0]=3 502 B5R0.5 C[C@H](N)C(=O)O 080323 [1,1,0,0,0,0|1,0,0]=3 503 B5R0.5 C[C@H](N)C(N)=O 092189 [1,1,0,0,0,0|1,0,0]=3 504 B5R0.5 C[C@H](O)C(=O)O 103316 [1,1,0,0,0,0|1,0,0]=3 505 B5R0.5 C[C@H](O)C(=O)[O-] 448793 [1,1,0,0,0,0|1,0,0]=3 506 B5R0.5 NC(=O)C(F)Cl 038384 [1,1,0,0,0,0|2,0,0]=4 507 B5R0.5 NC(=O)C(F)F 033531 [1,1,0,0,0,0|2,0,0]=4 508 B5R0.5 O=C(Cl)C(Cl)Cl 099125 [1,1,0,0,0,0|2,0,0]=4 509 B5R0.5 O=C(O)C(Br)Br 103029 [1,1,0,0,0,0|2,0,0]=4 510 B5R0.5 O=C(O)C(Cl)Cl 095059 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.5 O=C(O)C(F)F 001231 [1,1,0,0,0,0|2,0,0]=4 512 B5R0.5 O=C(O)C(F)F 019092 [1,1,0,0,0,0|2,0,0]=4 513 B5R0.5 O=C(O)C(O)O 143700 [1,1,0,0,0,0|2,0,0]=4 514 B5R0.5 O=C([O-])C(Cl)Cl 462644 [1,1,0,0,0,0|2,0,0]=4 515 B5R0.5 O=C([O-])C(F)F 010327 [1,1,0,0,0,0|2,0,0]=4 516 B5R0.2 C=CCCCBr 013455 [1,1,0,0,0,0|2,0,0]=4 517 B5R0.2 C=CCCCC 098845 [1,1,0,0,0,0|2,0,0]=4 518 B5R0.2 C=CCCCI 103315 [1,1,0,0,0,0|2,0,0]=4 519 B5R0.2 C=CCCCO 164000 [1,1,0,0,0,0|2,0,0]=4 520 B5R0.2 C=CCCNC 104185 [1,1,0,0,0,0|2,0,0]=4 521 B5R0.2 C=CCNC=O 065354 [1,1,0,0,0,0|1,0,1]=4 522 B5R0.2 C=COCCO 463043 [1,1,0,0,0,0|1,0,0]=3 523 B5R0.2 CCCCC=O 094967 [1,1,0,0,0,0|1,0,0]=3 524 B5R0.2 CCCCC=O 106333 [1,1,0,0,0,0|1,0,0]=3 525 B5R0.2 CCC\C=N\O 099610 [1,1,0,0,0,0|1,0,1]=4 526 B5R0.2 CCOCCBr 001004 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.2 CCOCCN 374636 [1,1,0,0,0,0|1,0,1]=4 528 B5R0.2 CCOCCO 037421 [1,1,0,0,0,0|0,0,2]=4 529 B5R0.2 CC\C=C/CO 386381 [1,1,0,0,0,0|1,0,1]=4 530 B5R0.2 CC\C=C\C=O 466581 [1,1,0,0,0,0|1,0,0]=3 531 B5R0.2 CC\C=C\CBr 106316 [1,1,0,0,0,0|2,0,0]=4 532 B5R0.2 CSCCC=O 103329 [1,1,0,0,0,0|1,0,0]=3 533 B5R0.2 C\C=C\OCC 103024 [1,1,0,0,0,0|1,0,0]=3 534 B5R0.2 O=C=NCCBr 098505 [1,1,0,0,0,0|1,0,1]=4 535 B5R0.2 O=C=NCCCl 067807 [1,1,0,0,0,0|1,0,1]=4 536 B7R0.2 C=CC(=O)NC(C)C 046835 [0,2,0,0,0,0|1,0,0]=3 537 B7R0.2 CC(C)NC(=O)CCl 307988 [0,2,0,0,0,0|1,0,0]=3 538 B7R0.2 CC(C)NC(=S)NN 018759 [0,2,0,0,0,0|1,1,0]=4 539 B7R0.2 CCC(C)CC(=O)O 002768 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.2 CCC(C)NC(C)=O 103813 [0,2,0,0,0,0|1,0,0]=3 541 B7R0.2 COC(=O)C=C(C)C 358413 [0,2,0,0,0,0|1,0,1]=4 542 B7R0.2 COC(=O)CC(C)C 046834 [0,2,0,0,0,0|1,0,0]=3 543 B7R0.2 COC(=O)CN(C)C 099922 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.2 COC(=O)C[C@@H](C)O 079225 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.2 COC(=O)C[C@H](C)O 208678 [0,2,0,0,0,0|2,0,0]=4 546 B7R0.2 NCC(O)CC(=O)O 093269 [0,2,0,0,0,0|2,0,0]=4 547 B7R0.5 CC(C)C(=O)OCCl 424728 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.5 CC(NC=O)C(=O)O 329655 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.5 CCOC(=O)C(C)C 094936 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.7 CCOC(C)OCC 358253 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.9 C=C(C)CC(C)(C)C 099019 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.9 C=C(C)O[Si](C)(C)C S10250 [0,2,0,0,0,0|1,1,0]=4 553 B7R0.9 CC(=O)NC(C)(C)C 342025 [0,2,0,0,0,0|1,0,0]=3 554 B7R0.9 CC(=O)OC(C)(C)C 094033 [0,2,0,0,0,0|0,0,0]=2 555 B7R0.9 CC(=O)O[Si](C)(C)C S00009 [0,2,0,0,0,0|0,1,0]=3 556 B7R0.9 CC(C)(C)CC(=O)Cl 049750 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.9 CC(C)(C)CC(=O)O 078718 [0,2,0,0,0,0|1,0,0]=3 558 B7R0.9 CC(C)(C)CC(N)=O 102508 [0,2,0,0,0,0|1,0,0]=3 559 B7R0.9 CC(C)(C)NC(N)=O 342232 [0,2,0,0,0,0|1,0,0]=3 560 B7R0.9 CC(C)(C)NC(N)=S 018344 [0,2,0,0,0,0|1,1,0]=4 561 B7R0.9 CC(C)(C)OC(N)=O 043378 [0,2,0,0,0,0|0,0,0]=2 562 B7R0.9 CC(C)(N)CC(=O)O 023437 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.9 CC(C)CS(=O)(=O)Cl 069682 [0,2,0,0,0,0|2,0,0]=4 564 B7R0.9 CC(C)CS(N)(=O)=O 098399 [0,2,0,0,0,0|2,0,0]=4 565 B7R0.9 CC(C)OS(C)(=O)=O 318154 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.9 O=C(Cl)OC(Cl)(Cl)Cl 046973 [0,2,0,0,0,0|2,0,0]=4 567 B7R0.16 CC(C)C(Br)C(=O)O 003401 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.16 CC(C)C(N)C(=O)O 097622 [0,2,0,0,0,0|1,0,0]=3 569 B7R0.16 CC(C)C(O)C(=O)O 336693 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.16 CC(C)[C@@H](N)C(=O)O 011910 [0,2,0,0,0,0|1,0,0]=3 571 B7R0.16 CC(C)[C@H](Br)C(=O)O 094133 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.16 CC(C)[C@H](N)C(=O)O M02950 [0,2,0,0,0,0|1,0,0]=3 573 B7R0.16 CC(C)[C@H](N)C(N)=O M03135 [0,2,0,0,0,0|1,0,0]=3 574 B7R0.16 CN(C)C(=O)C(=O)O 023520 [0,2,0,0,0,0|2,0,0]=4 575 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O 093733 [0,2,0,0,0,0|2,0,0]=4 576 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O 104129 [0,2,0,0,0,0|2,0,0]=4 577 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O M02962 [0,2,0,0,0,0|2,0,0]=4 578 B7R0.4 CC(C)CCNC=O 104304 [0,2,0,0,0,0|1,0,0]=3 579 B7R0.4 CC(C)CCON=O 046832 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.4 CC(C)OCCCN 520884 [0,2,0,0,0,0|1,0,1]=4 581 B7R0.6 CC(=O)CCC(C)C 106440 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.6 CC(=O)CCN(C)C 043224 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.6 CC(=O)NCC(C)C 103683 [0,2,0,0,0,0|1,0,0]=3 584 B7R0.6 CC(=O)OCC(=O)O 228175 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.6 CC(=O)OCC(C)C 095004 [0,2,0,0,0,0|0,0,0]=2 586 B7R0.6 CC(=O)\C=C\N(C)C 106573 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.6 CC(C)COC(=O)Cl 046752 [0,2,0,0,0,0|0,0,0]=2 588 B7R0.6 CC(C)SCC(=O)O 311009 [0,2,0,0,0,0|0,1,0]=3 589 B7R0.6 CC(C)\C=C\C(=O)O 011183 [0,2,0,0,0,0|1,0,0]=3 590 B7R0.6 CN(C)CCC(=O)O 046799 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 013147 [0,2,0,0,0,0|2,0,0]=4 592 B7R0.8 C#CCOC(C)(C)C 105507 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.8 C=CCNC(C)(C)C 102065 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.8 C=CCO[Si](C)(C)C 005280 [0,2,0,0,0,0|1,1,0]=4 595 B7R0.8 CC(C)(C)OCCO 139800 [0,2,0,0,0,0|0,0,2]=4 596 B7R0.8 C[Si](C)(C)C#CC=O S20180 [0,2,0,0,0,0|1,1,0]=4 597 B7R0.8 O=COCC(F)(F)F 037821 [0,2,0,0,0,0|2,0,0]=4 598 B5R1.3 BrCC1CC1 003713 [1,0,0,1,0,0|1,0,1]=4 599 B5R1.3 C#CC1CC1 358398 [1,0,0,1,0,0|1,0,1]=4 600 B5R1.3 ClCC1CC1 049157 [1,0,0,1,0,0|1,0,1]=4 601 B5R1.3 ICC1CC1 062968 [1,0,0,1,0,0|1,0,1]=4 602 B5R1.3 N#CC1CC1 005110 [1,0,0,1,0,0|1,0,1]=4 603 B5R1.3 NCC1CC1 044419 [1,0,0,1,0,0|1,0,1]=4 604 B5R1.3 NCC1CC1 329340 [1,0,0,1,0,0|1,0,1]=4 605 B5R1.3 O=CC1CC1 065337 [1,0,0,1,0,0|0,0,0]=2 606 B5R1.3 OCC1CC1 003372 [1,0,0,1,0,0|0,0,2]=4 607 B5R1.5 CC1(C)CO1 150500 [1,0,0,1,0,0|0,0,1]=3 608 B5R1.1 C1=CCCC1 520876 [1,0,0,1,0,0|2,0,0]=4 609 B5R1.1 C1=COCC1 051266 [1,0,0,1,0,0|1,0,0]=3 610 B5R1.1 C1CCOC1 035914 [1,0,0,1,0,0|1,0,1]=4 611 B5R1.1 C1CCOC1 044988 [1,0,0,1,0,0|1,0,1]=4 612 B5R1.1 C1CCOC1 046883 [1,0,0,1,0,0|1,0,1]=4 613 B5R1.1 C1CCOC1 099898 [1,0,0,1,0,0|1,0,1]=4 614 B5R1.1 C1CCOC1 102161 [1,0,0,1,0,0|1,0,1]=4 615 B5R1.1 C1CCOC1 103783 [1,0,0,1,0,0|1,0,1]=4 616 B5R1.1 C1CCOC1 104382 [1,0,0,1,0,0|1,0,1]=4 617 B5R1.1 C1CCOC1 105576 [1,0,0,1,0,0|1,0,1]=4 618 B5R1.1 C1CCOC1 105743 [1,0,0,1,0,0|1,0,1]=4 619 B5R1.1 C1COCO1 098850 [1,0,0,1,0,0|0,0,2]=4 620 B7R1.1 BrCC1CCCO1 067835 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.1 ClCC1CCCO1 171500 [0,1,0,1,0,0|1,0,1]=4 622 B7R1.1 NCC1CCCO1 094973 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.1 NC[C@@H]1CCCO1 228127 [0,1,0,1,0,0|1,0,1]=4 624 B7R1.1 NC[C@H]1CCCO1 216897 [0,1,0,1,0,0|1,0,1]=4 625 B7R1.1 OCC1CCCO1 235709 [0,1,0,1,0,0|1,0,1]=4 626 B7R1.1 OC[C@H]1CCCO1 304017 [0,1,0,1,0,0|1,0,1]=4 627 B7R1.2 CC1=CC(=O)CC1 078668 [0,1,0,1,0,0|1,0,1]=4 628 B7R1.2 CC1=CCC(=O)O1 098871 [0,1,0,1,0,0|0,0,1]=3 629 B7R1.2 CC1=CCC(=O)O1 107050 [0,1,0,1,0,0|0,0,1]=3 630 B7R1.2 CC1=NNC(=O)C1 077205 [0,1,0,1,0,0|1,0,1]=4 631 B7R1.2 CC1CCC(=O)N1 232918 [0,1,0,1,0,0|1,0,0]=3 632 B7R1.2 CC1CCC(=O)O1 243089 [0,1,0,1,0,0|0,0,0]=2 633 B7R1.2 CC1COC(=O)O1 044922 [0,1,0,1,0,0|0,0,0]=2 634 B7R1.2 C[C@@H]1COC(=O)O1 237778 [0,1,0,1,0,0|0,0,0]=2 635 B7R1.2 O=C1CCC(=O)O1 339548 [0,1,0,1,0,0|1,0,1]=4 636 B7R1.2 O=C1C[C@@H](O)CN1 047704 [0,1,0,1,0,0|2,0,0]=4 637 B7R1.2 O=C1C[C@H](O)CN1 093766 [0,1,0,1,0,0|2,0,0]=4 638 B7R1.2 O=C1OCC(F)O1 098380 [0,1,0,1,0,0|1,0,0]=3 639 B7R1.3 CC1CNCCO1 075555 [0,1,0,1,0,0|1,0,1]=4 640 B7R1.3 C[C@H]1CNCCO1 076728 [0,1,0,1,0,0|1,0,1]=4 641 B7R1.4 CC1OCCC1S 358069 [0,1,0,1,0,0|1,0,1]=4 642 B7R1.20 CC(=O)NC1CC1 103802 [0,1,0,1,0,0|1,0,0]=3 643 B7R1.20 O=C(O)CC1CC1 003710 [0,1,0,1,0,0|1,0,0]=3 644 B7R1.7 O=C=NCC1CC1 214423 [0,1,0,1,0,0|1,0,1]=4 645 B7R1.14 CC1(C)COC=N1 094824 [0,1,0,1,0,0|1,0,0]=3 646 B7R1.14 CC1(C)COCN1 535769 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.14 CC1(C)OCCO1 103483 [0,1,0,1,0,0|0,0,2]=4