0 B6R0.6 C#CCCCCO TS31426 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 C#CCOCCO TS31499 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C(CBr)OCCBr TS08788 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C(CCBr)CCBr TS07888 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.6 C(CCCl)CCBr TS48788 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 C(CCCl)CCCl TS06550 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C(CCCl)CCI TS53384 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C(CCCl)CC[Zn+] TS28126 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 C(CCI)CCI TS77462 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 C(CCN)CCN TS03978 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 C(CCN)CCN TS45899 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.6 C(CCN)CCO TS04006 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.6 C(CCO)CC=O TS03340 [0,0,0,0,0,0|1,0,3]=4 13 B6R0.6 C(CCO)CCBr TS09812 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.6 C(CCO)CCCl TS71520 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.6 C(CCO)CCO TS46820 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.6 C(CCS)CCS TS37065 [0,0,0,0,0,0|1,1,2]=4 17 B6R0.6 C(CCl)NCCCl TS55773 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 C(CCl)OCCCl TS00044 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 C(CI)OCCI TS63369 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 C(CNCCN)N TS04014 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.6 C(CNCCO)N TS00063 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 C(CO)NCCO TS04076 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.6 C(CO)NCCO TS37530 [0,0,0,0,0,0|2,0,1]=3 24 B6R0.6 C(CO)NCCO TS76269 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 C(COCC=O)O TS31664 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.6 C(COCCCl)O TS36027 [0,0,0,0,0,0|2,0,1]=3 27 B6R0.6 C(COCCN)N TS04047 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.6 C(COCCN)N TS47125 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.6 C(COCCO)N TS04075 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.6 C(COCCO)O TS01431 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.6 C(COCCS)O TS32524 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.6 C(CS)OCCS TS37236 [0,0,0,0,0,0|2,1,1]=4 33 B6R0.6 C(CSCCN)N TS32436 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.6 C(CSCCO)N TS04873 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.6 C(CSCCO)O TS32771 [0,0,0,0,0,0|2,0,1]=3 36 B6R0.6 C(CSCCS)S TS10516 [0,0,0,0,0,0|2,1,1]=4 37 B6R0.6 C=CCCCCO TS71562 [0,0,0,0,0,0|0,0,4]=4 38 B6R0.6 C=CCOCCO TS31592 [0,0,0,0,0,0|1,0,3]=4 39 B6R0.6 CC=CC=CC#N TS71880 [0,0,0,0,0,0|1,0,3]=4 40 B6R0.6 CC=CC=CC=O TS31368 [0,0,0,0,0,0|0,0,4]=4 41 B6R0.6 CC=CC=CCO TS31427 [0,0,0,0,0,0|0,0,2]=2 42 B6R0.6 CC=CCCCO TS31509 [0,0,0,0,0,0|0,0,4]=4 43 B6R0.6 CC=CCCCO TS31521 [0,0,0,0,0,0|0,0,4]=4 44 B6R0.6 CCC#COCC TS31433 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.6 CCC=CCC=O TS31443 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.6 CCC=CCCO TS31511 [0,0,0,0,0,0|0,0,2]=2 47 B6R0.6 CCC=CCCO TS31515 [0,0,0,0,0,0|0,0,2]=2 48 B6R0.6 CCCC#CC=C TS03678 [0,0,0,0,0,0|1,0,3]=4 49 B6R0.6 CCCC#CCC TS03730 [0,0,0,0,0,0|1,0,2]=3 50 B6R0.6 CCCC=CC=O TS31421 [0,0,0,0,0,0|0,0,2]=2 51 B6R0.6 CCCC=CC=O TS31438 [0,0,0,0,0,0|0,0,2]=2 52 B6R0.6 CCCC=CC=O TS31444 [0,0,0,0,0,0|0,0,2]=2 53 B6R0.6 CCCC=CCO TS03865 [0,0,0,0,0,0|0,0,0]=0 54 B6R0.6 CCCCC#CC TS03724 [0,0,0,0,0,0|1,0,3]=4 55 B6R0.6 CCCCC=CBr TS11653 [0,0,0,0,0,0|1,0,2]=3 56 B6R0.6 CCCCC=CC TS03803 [0,0,0,0,0,0|1,0,2]=3 57 B6R0.6 CCCCCC#C TS03726 [0,0,0,0,0,0|1,0,3]=4 58 B6R0.6 CCCCCC#N TS31405 [0,0,0,0,0,0|1,0,3]=4 59 B6R0.6 CCCCCC=C TS31453 [0,0,0,0,0,0|1,0,3]=4 60 B6R0.6 CCCCCC=O TS39877 [0,0,0,0,0,0|0,0,4]=4 61 B6R0.6 CCCCCCBr TS00036 [0,0,0,0,0,0|1,0,2]=3 62 B6R0.6 CCCCCCC TS03885 [0,0,0,0,0,0|1,0,2]=3 63 B6R0.6 CCCCCCCl TS04842 [0,0,0,0,0,0|1,0,2]=3 64 B6R0.6 CCCCCCF TS31676 [0,0,0,0,0,0|1,0,2]=3 65 B6R0.6 CCCCCCI TS93973 [0,0,0,0,0,0|1,0,2]=3 66 B6R0.6 CCCCCCN TS31561 [0,0,0,0,0,0|1,0,2]=3 67 B6R0.6 CCCCCCN TS37145 [0,0,0,0,0,0|1,0,2]=3 68 B6R0.6 CCCCCCO TS39881 [0,0,0,0,0,0|0,0,2]=2 69 B6R0.6 CCCCCCS TS04753 [0,0,0,0,0,0|0,1,2]=3 70 B6R0.6 CCCCCC[SiH3] TS04643 [0,0,0,0,0,0|1,0,2]=3 71 B6R0.6 CCCCCC[Zn+] TS24970 [0,0,0,0,0,0|1,0,2]=3 72 B6R0.6 CCCCCNC TS03916 [0,0,0,0,0,0|2,0,2]=4 73 B6R0.6 CCCCCNN TS06331 [0,0,0,0,0,0|2,0,2]=4 74 B6R0.6 CCCCCSC TS04750 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.6 CCCCC[Mg]Cl TS36578 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.6 CCCCN=C=O TS93082 [0,0,0,0,0,0|1,0,3]=4 77 B6R0.6 CCCCN=C=S TS04546 [0,0,0,0,0,0|1,1,2]=4 78 B6R0.6 CCCCNC=O TS03902 [0,0,0,0,0,0|1,0,3]=4 79 B6R0.6 CCCCNCC TS03925 [0,0,0,0,0,0|2,0,1]=3 80 B6R0.6 CCCCOC=C TS33237 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.6 CCCCOC=O TS03954 [0,0,0,0,0,0|1,0,3]=4 82 B6R0.6 CCCCOCC TS03964 [0,0,0,0,0,0|2,0,1]=3 83 B6R0.6 CCCCOCCl TS04949 [0,0,0,0,0,0|2,0,1]=3 84 B6R0.6 CCCCON=O TS31645 [0,0,0,0,0,0|2,0,2]=4 85 B6R0.6 CCCCSC#N TS04545 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.6 CCCCSCC TS04749 [0,0,0,0,0,0|2,0,1]=3 87 B6R0.6 CCCCS[SnH]=O TS23939 [0,0,0,0,0,0|2,0,2]=4 88 B6R0.6 CCCNCCC TS39857 [0,0,0,0,0,0|2,0,1]=3 89 B6R0.6 CCCNCCN TS03973 [0,0,0,0,0,0|2,0,1]=3 90 B6R0.6 CCCNCCO TS04001 [0,0,0,0,0,0|1,0,1]=2 91 B6R0.6 CCCOCCC TS03967 [0,0,0,0,0,0|2,0,1]=3 92 B6R0.6 CCCOCCC TS49356 [0,0,0,0,0,0|2,0,1]=3 93 B6R0.6 CCCOCCCl TS04951 [0,0,0,0,0,0|2,0,1]=3 94 B6R0.6 CCCOCCN TS04012 [0,0,0,0,0,0|2,0,1]=3 95 B6R0.6 CCCSC=CC TS04637 [0,0,0,0,0,0|2,0,1]=3 96 B6R0.6 CCCSCC=C TS04636 [0,0,0,0,0,0|2,0,2]=4 97 B6R0.6 CCCSCCC TS04756 [0,0,0,0,0,0|2,0,1]=3 98 B6R0.6 CCCSCCO TS32433 [0,0,0,0,0,0|1,0,1]=2 99 B6R0.6 CCCSSCC TS37066 [0,0,0,0,0,0|3,0,0]=3 100 B6R0.6 CCCSSSC TS10513 [0,0,0,0,0,0|4,0,0]=4 101 B6R0.6 CCC[Hg]CCC TS35002 [0,0,0,0,0,0|2,0,1]=3 102 B6R0.6 CCNCCCN TS03975 [0,0,0,0,0,0|2,0,2]=4 103 B6R0.6 CCNCCNC TS03972 [0,0,0,0,0,0|3,0,1]=4 104 B6R0.6 CCOC=CC#N TS03748 [0,0,0,0,0,0|2,0,1]=3 105 B6R0.6 CCOCCCBr TS12340 [0,0,0,0,0,0|2,0,2]=4 106 B6R0.6 CCOCCCCl TS04950 [0,0,0,0,0,0|2,0,2]=4 107 B6R0.6 CCOCCCN TS04010 [0,0,0,0,0,0|2,0,2]=4 108 B6R0.6 CCOCCCO TS04028 [0,0,0,0,0,0|1,0,2]=3 109 B6R0.6 CCOCCOC TS04027 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.6 CCOCOCC TS74492 [0,0,0,0,0,0|3,0,1]=4 111 B6R0.6 CCSCCCO TS32432 [0,0,0,0,0,0|1,0,2]=3 112 B6R0.6 CCSSSCC TS10514 [0,0,0,0,0,0|4,0,0]=4 113 B6R0.6 COCCCCBr TS03145 [0,0,0,0,0,0|2,0,2]=4 114 B6R0.6 COCCCCCl TS39592 [0,0,0,0,0,0|2,0,2]=4 115 B6R0.6 COCCCCO TS07977 [0,0,0,0,0,0|1,0,2]=3 116 B6R0.6 COCCOCCl TS39595 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.6 COCOCCBr TS44958 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.6 CSCCCCO TS32429 [0,0,0,0,0,0|1,0,2]=3 119 B6R0.6 [Li]CCCCCC TS03654 [0,0,0,0,0,0|1,0,2]=3 120 B5R0.2 C#CC=CCO TS03460 [1,0,0,0,0,0|0,0,2]=3 121 B5R0.2 C#CCCCO TS71278 [1,0,0,0,0,0|0,0,3]=4 122 B5R0.2 C(=NO)C=NO TS03567 [1,0,0,0,0,0|3,0,0]=4 123 B5R0.2 C(C#CCCl)O TS04053 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.2 C(C#CCO)O TS03533 [1,0,0,0,0,0|1,0,2]=4 125 B5R0.2 C(C=CCBr)Br TS39560 [1,0,0,0,0,0|2,0,0]=3 126 B5R0.2 C(C=CCCl)Cl TS00388 [1,0,0,0,0,0|2,0,0]=3 127 B5R0.2 C(C=CCCl)Cl TS55820 [1,0,0,0,0,0|2,0,0]=3 128 B5R0.2 C(C=CCCl)N TS06635 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.2 C(C=CCCl)O TS31740 [1,0,0,0,0,0|1,0,0]=2 130 B5R0.2 C(C=CCO)O TS33234 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.2 C(C=CCl)ON TS94269 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.2 C(CBr)OCCl TS45688 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.2 C(CCBr)CBr TS07886 [1,0,0,0,0,0|2,0,1]=4 134 B5R0.2 C(CCBr)CCl TS45376 [1,0,0,0,0,0|2,0,1]=4 135 B5R0.2 C(CCBr)CF TS10539 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.2 C(CCBr)CO TS39737 [1,0,0,0,0,0|1,0,1]=3 137 B5R0.2 C(CCCl)CCl TS36204 [1,0,0,0,0,0|2,0,1]=4 138 B5R0.2 C(CCCl)CO TS33155 [1,0,0,0,0,0|1,0,1]=3 139 B5R0.2 C(CCF)CF TS03666 [1,0,0,0,0,0|2,0,1]=4 140 B5R0.2 C(CCF)CO TS03655 [1,0,0,0,0,0|1,0,1]=3 141 B5R0.2 C(CCI)CCl TS49510 [1,0,0,0,0,0|2,0,1]=4 142 B5R0.2 C(CCI)CI TS76368 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.2 C(CCO)CN TS03609 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.2 C(CCO)CO TS00383 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.2 C(CCS)CO TS04107 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.2 C(CCS)CS TS04933 [1,0,0,0,0,0|1,1,1]=4 147 B5R0.2 C(CC[Zn+])CCl TS25983 [1,0,0,0,0,0|2,0,1]=4 148 B5R0.2 C(CCl)OCCl TS36384 [1,0,0,0,0,0|3,0,0]=4 149 B5R0.2 C(CO)NCO TS03642 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.2 C=CCCCBr TS71399 [1,0,0,0,0,0|1,0,2]=4 151 B5R0.2 C=CCCCCl TS04057 [1,0,0,0,0,0|1,0,2]=4 152 B5R0.2 C=CCCCN TS03513 [1,0,0,0,0,0|1,0,2]=4 153 B5R0.2 C=CCCCN TS04880 [1,0,0,0,0,0|1,0,2]=4 154 B5R0.2 C=CCCCO TS33172 [1,0,0,0,0,0|0,0,3]=4 155 B5R0.2 C=CCCC[Zn+] TS44589 [1,0,0,0,0,0|1,0,2]=4 156 B5R0.2 C=COCCO TS03575 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.2 CC=CC=CC TS71681 [1,0,0,0,0,0|0,0,2]=3 158 B5R0.2 CC=CC=CC TS71684 [1,0,0,0,0,0|0,0,2]=3 159 B5R0.2 CC=CCCO TS71749 [1,0,0,0,0,0|1,0,0]=2 160 B5R0.2 CC=CC[Mg]Cl TS32134 [1,0,0,0,0,0|2,0,0]=3 161 B5R0.2 CCC#CC=C TS71669 [1,0,0,0,0,0|0,0,3]=4 162 B5R0.2 CCC#CCC TS71689 [1,0,0,0,0,0|0,0,3]=4 163 B5R0.2 CCC#CCCl TS31620 [1,0,0,0,0,0|1,0,2]=4 164 B5R0.2 CCC#CCO TS65626 [1,0,0,0,0,0|0,0,2]=3 165 B5R0.2 CCC=CC=C TS03467 [1,0,0,0,0,0|0,0,2]=3 166 B5R0.2 CCC=CC=O TS03498 [1,0,0,0,0,0|0,0,2]=3 167 B5R0.2 CCCC#CC TS71682 [1,0,0,0,0,0|0,0,2]=3 168 B5R0.2 CCCC#CI TS51737 [1,0,0,0,0,0|1,0,2]=4 169 B5R0.2 CCCC=NO TS03560 [1,0,0,0,0,0|1,0,0]=2 170 B5R0.2 CCCCC#C TS71687 [1,0,0,0,0,0|0,0,3]=4 171 B5R0.2 CCCCC#N TS71704 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.2 CCCCC=C TS71713 [1,0,0,0,0,0|0,0,2]=3 173 B5R0.2 CCCCC=O TS71764 [1,0,0,0,0,0|0,0,2]=3 174 B5R0.2 CCCCCBr TS00039 [1,0,0,0,0,0|1,0,1]=3 175 B5R0.2 CCCCCCl TS31742 [1,0,0,0,0,0|1,0,1]=3 176 B5R0.2 CCCCCF TS71848 [1,0,0,0,0,0|1,0,1]=3 177 B5R0.2 CCCCCI TS18547 [1,0,0,0,0,0|1,0,1]=3 178 B5R0.2 CCCCCN TS71782 [1,0,0,0,0,0|1,0,1]=3 179 B5R0.2 CCCCCO TS46186 [1,0,0,0,0,0|0,0,1]=2 180 B5R0.2 CCCCCO TS71798 [1,0,0,0,0,0|0,0,1]=2 181 B5R0.2 CCCCCS TS31699 [1,0,0,0,0,0|0,1,1]=3 182 B5R0.2 CCCCC[Si] TS03986 [1,0,0,0,0,0|1,0,1]=3 183 B5R0.2 CCCCC[Zn+] TS49168 [1,0,0,0,0,0|1,0,1]=3 184 B5R0.2 CCCCNC TS71774 [1,0,0,0,0,0|1,0,1]=3 185 B5R0.2 CCCCNN TS14187 [1,0,0,0,0,0|2,0,1]=4 186 B5R0.2 CCCCNN TS36035 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.2 CCCCON TS36085 [1,0,0,0,0,0|2,0,1]=4 188 B5R0.2 CCCCON TS93805 [1,0,0,0,0,0|2,0,1]=4 189 B5R0.2 CCCCSC TS31691 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.2 CCCC[Mg]Br TS11455 [1,0,0,0,0,0|2,0,1]=4 191 B5R0.2 CCCC[Mg]Cl TS32260 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.2 CCCC[N+]#[C-] TS71702 [1,0,0,0,0,0|1,0,2]=4 193 B5R0.2 CCCC[Sn]=O TS17583 [1,0,0,0,0,0|1,0,2]=4 194 B5R0.2 CCCN=C=O TS03505 [1,0,0,0,0,0|1,0,2]=4 195 B5R0.2 CCCN=C=S TS03915 [1,0,0,0,0,0|1,1,1]=4 196 B5R0.2 CCCNCC TS71783 [1,0,0,0,0,0|1,0,1]=3 197 B5R0.2 CCCOC=C TS29507 [1,0,0,0,0,0|1,0,1]=3 198 B5R0.2 CCCOC=O TS03584 [1,0,0,0,0,0|1,0,1]=3 199 B5R0.2 CCCOCC TS71799 [1,0,0,0,0,0|1,0,1]=3 200 B5R0.2 CCCOCCl TS04165 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.2 CCCON=O TS71824 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.2 CCCSC#N TS03911 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.2 CCCSCC TS31700 [1,0,0,0,0,0|1,0,1]=3 204 B5R0.2 CCCSSC TS04934 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.2 CCN=NCC TS03539 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.2 CCNCCN TS71809 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.2 CCNCCO TS00085 [1,0,0,0,0,0|1,0,1]=3 208 B5R0.2 CCNNCC TS11360 [1,0,0,0,0,0|2,0,1]=4 209 B5R0.2 CCNNCC TS71806 [1,0,0,0,0,0|2,0,1]=4 210 B5R0.2 CCOC=CBr TS40963 [1,0,0,0,0,0|2,0,0]=3 211 B5R0.2 CCOC=CC TS71751 [1,0,0,0,0,0|1,0,0]=2 212 B5R0.2 CCOCC=C TS71744 [1,0,0,0,0,0|1,0,2]=4 213 B5R0.2 CCOCCBr TS10269 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.2 CCOCCCl TS04162 [1,0,0,0,0,0|2,0,1]=4 215 B5R0.2 CCOCCO TS71837 [1,0,0,0,0,0|1,0,1]=3 216 B5R0.2 CCSCC=C TS03981 [1,0,0,0,0,0|1,0,2]=4 217 B5R0.2 CCSCCBr TS44968 [1,0,0,0,0,0|2,0,1]=4 218 B5R0.2 CCSCCCl TS36036 [1,0,0,0,0,0|2,0,1]=4 219 B5R0.2 CCSCCN TS31712 [1,0,0,0,0,0|2,0,1]=4 220 B5R0.2 CCSCCN TS37539 [1,0,0,0,0,0|2,0,1]=4 221 B5R0.2 CCSCCO TS59769 [1,0,0,0,0,0|1,0,1]=3 222 B5R0.2 CCSSCC TS59782 [1,0,0,0,0,0|2,0,1]=4 223 B5R0.2 CC[Se][Se]CC TS44786 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.2 CNCCCCl TS40140 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.2 CNCCCN TS71808 [1,0,0,0,0,0|2,0,1]=4 226 B5R0.2 CNCCNC TS56355 [1,0,0,0,0,0|2,0,1]=4 227 B5R0.2 CNCCOC TS03607 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.2 COC=CC#N TS71699 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.2 COC=CC=O TS71739 [1,0,0,0,0,0|1,0,2]=4 230 B5R0.2 COCCCBr TS10272 [1,0,0,0,0,0|2,0,1]=4 231 B5R0.2 COCCCCl TS04163 [1,0,0,0,0,0|2,0,1]=4 232 B5R0.2 COCCCN TS03603 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.2 COCCCO TS70643 [1,0,0,0,0,0|1,0,1]=3 234 B5R0.2 COCCOC TS07877 [1,0,0,0,0,0|2,0,1]=4 235 B5R0.2 CSCCCN TS65714 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.2 CSCCCO TS04105 [1,0,0,0,0,0|1,0,1]=3 237 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [1,0,0,0,0,0|0,2,1]=4 238 B7R0.1 C#CCCCCCO TS01237 [0,1,0,0,0,0|0,0,3]=4 239 B7R0.1 C(CCCBr)CCBr TS07890 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.1 C(CCCBr)CCCl TS00416 [0,1,0,0,0,0|1,0,2]=4 241 B7R0.1 C(CCCBr)CCO TS59727 [0,1,0,0,0,0|0,0,2]=3 242 B7R0.1 C(CCCCl)CCCl TS10546 [0,1,0,0,0,0|1,0,2]=4 243 B7R0.1 C(CCCCl)CCO TS06143 [0,1,0,0,0,0|0,0,2]=3 244 B7R0.1 C(CCCI)CCCl TS27509 [0,1,0,0,0,0|1,0,2]=4 245 B7R0.1 C(CCCN)CCN TS04632 [0,1,0,0,0,0|1,0,2]=4 246 B7R0.1 C(CCCN)CCN TS41228 [0,1,0,0,0,0|1,0,2]=4 247 B7R0.1 C(CCCN)CCN TS41960 [0,1,0,0,0,0|1,0,2]=4 248 B7R0.1 C(CCCN)CCN TS42181 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.1 C(CCCO)CCN TS39356 [0,1,0,0,0,0|0,0,2]=3 250 B7R0.1 C(CCCO)CCO TS46825 [0,1,0,0,0,0|0,0,2]=3 251 B7R0.1 C(CCCS)CCO TS36872 [0,1,0,0,0,0|0,0,2]=3 252 B7R0.1 C(CCCS)CCS TS40940 [0,1,0,0,0,0|0,1,2]=4 253 B7R0.1 C(CCC[Zn+])CCCl TS68903 [0,1,0,0,0,0|1,0,2]=4 254 B7R0.1 C(CCO)CC=NO TS04658 [0,1,0,0,0,0|1,0,1]=3 255 B7R0.1 C(CN)CNCCBr TS56331 [0,1,0,0,0,0|2,0,1]=4 256 B7R0.1 C(CN)CNCCN TS32302 [0,1,0,0,0,0|2,0,1]=4 257 B7R0.1 C(CN)CNCCO TS56334 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.1 C(CNCCN)CO TS32350 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.1 C(CNCCO)CO TS04790 [0,1,0,0,0,0|1,0,1]=3 260 B7R0.1 C(CO)C#CCCO TS32070 [0,1,0,0,0,0|0,0,3]=4 261 B7R0.1 C(CSCCO)C#N TS05678 [0,1,0,0,0,0|1,0,2]=4 262 B7R0.1 C(CSSCCO)O TS41445 [0,1,0,0,0,0|2,0,1]=4 263 B7R0.1 C=CCCC=CC=C TS31784 [0,1,0,0,0,0|1,0,2]=4 264 B7R0.1 C=CCCCCCO TS04461 [0,1,0,0,0,0|0,0,3]=4 265 B7R0.1 CCC#CCCCCl TS36574 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.1 CCC=CC=CC=O TS04199 [0,1,0,0,0,0|0,0,3]=4 267 B7R0.1 CCC=CC=CCO TS31934 [0,1,0,0,0,0|0,0,1]=2 268 B7R0.1 CCC=CCCC=O TS04313 [0,1,0,0,0,0|1,0,1]=3 269 B7R0.1 CCC=CCCCO TS04463 [0,1,0,0,0,0|1,0,0]=2 270 B7R0.1 CCCC#CCC=C TS04139 [0,1,0,0,0,0|1,0,2]=4 271 B7R0.1 CCCC#CCCC TS31857 [0,1,0,0,0,0|1,0,2]=4 272 B7R0.1 CCCC#CCCO TS31945 [0,1,0,0,0,0|0,0,2]=3 273 B7R0.1 CCCC=CC=CC TS31845 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.1 CCCC=CCC=C TS31855 [0,1,0,0,0,0|1,0,0]=2 275 B7R0.1 CCCC=CCCC TS31958 [0,1,0,0,0,0|1,0,0]=2 276 B7R0.1 CCCC=CCCO TS04459 [0,1,0,0,0,0|0,0,0]=1 277 B7R0.1 CCCC=COCC TS04469 [0,1,0,0,0,0|1,0,0]=2 278 B7R0.1 CCCCC#CCC TS31859 [0,1,0,0,0,0|1,0,2]=4 279 B7R0.1 CCCCC#CCO TS31930 [0,1,0,0,0,0|0,0,2]=3 280 B7R0.1 CCCCC=CC=C TS31850 [0,1,0,0,0,0|1,0,1]=3 281 B7R0.1 CCCCC=CC=O TS04311 [0,1,0,0,0,0|0,0,2]=3 282 B7R0.1 CCCCC=CCC TS04348 [0,1,0,0,0,0|1,0,0]=2 283 B7R0.1 CCCCC=CCC TS31974 [0,1,0,0,0,0|1,0,0]=2 284 B7R0.1 CCCCC=CCO TS32112 [0,1,0,0,0,0|0,0,0]=1 285 B7R0.1 CCCCCC=CC TS31964 [0,1,0,0,0,0|1,0,2]=4 286 B7R0.1 CCCCCCC#C TS31852 [0,1,0,0,0,0|1,0,2]=4 287 B7R0.1 CCCCCCC#N TS31893 [0,1,0,0,0,0|1,0,2]=4 288 B7R0.1 CCCCCCC=O TS32096 [0,1,0,0,0,0|0,0,3]=4 289 B7R0.1 CCCCCCCBr TS00035 [0,1,0,0,0,0|1,0,2]=4 290 B7R0.1 CCCCCCCCl TS36887 [0,1,0,0,0,0|1,0,2]=4 291 B7R0.1 CCCCCCCF TS32353 [0,1,0,0,0,0|1,0,2]=4 292 B7R0.1 CCCCCCCI TS52275 [0,1,0,0,0,0|1,0,2]=4 293 B7R0.1 CCCCCCCN TS04552 [0,1,0,0,0,0|1,0,2]=4 294 B7R0.1 CCCCCCCO TS32232 [0,1,0,0,0,0|0,0,2]=3 295 B7R0.1 CCCCCCCS TS05788 [0,1,0,0,0,0|0,1,2]=4 296 B7R0.1 CCCCCCNC TS04559 [0,1,0,0,0,0|1,0,2]=4 297 B7R0.1 CCCCCCOC TS32254 [0,1,0,0,0,0|0,0,2]=3 298 B7R0.1 CCCCCCSC TS05792 [0,1,0,0,0,0|0,1,2]=4 299 B7R0.1 CCCCCNCC TS04550 [0,1,0,0,0,0|1,0,2]=4 300 B7R0.1 CCCCCOCC TS32236 [0,1,0,0,0,0|1,0,2]=4 301 B7R0.1 CCCCCSCC TS36717 [0,1,0,0,0,0|1,0,2]=4 302 B7R0.1 CCCCNCC#C TS31888 [0,1,0,0,0,0|2,0,1]=4 303 B7R0.1 CCCCNCCC TS04557 [0,1,0,0,0,0|1,0,2]=4 304 B7R0.1 CCCCNCCN TS04633 [0,1,0,0,0,0|1,0,2]=4 305 B7R0.1 CCCCNCCO TS32289 [0,1,0,0,0,0|0,0,2]=3 306 B7R0.1 CCCCNCCS TS36787 [0,1,0,0,0,0|0,1,2]=4 307 B7R0.1 CCCCOCC=C TS32094 [0,1,0,0,0,0|2,0,1]=4 308 B7R0.1 CCCCOCCBr TS48031 [0,1,0,0,0,0|1,0,2]=4 309 B7R0.1 CCCCOCCCl TS06142 [0,1,0,0,0,0|1,0,2]=4 310 B7R0.1 CCCCOCCO TS04738 [0,1,0,0,0,0|0,0,2]=3 311 B7R0.1 CCCCSCC#N TS36442 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.1 CCCCSCCC TS05790 [0,1,0,0,0,0|1,0,2]=4 313 B7R0.1 CCCCSCCO TS36874 [0,1,0,0,0,0|0,0,2]=3 314 B7R0.1 CCCCSSCC TS40937 [0,1,0,0,0,0|2,0,1]=4 315 B7R0.1 CCCNCCC#N TS04329 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.1 CCCNCCCN TS32259 [0,1,0,0,0,0|1,0,2]=4 317 B7R0.1 CCCNCCN=O TS04604 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.1 CCCOCCCN TS32295 [0,1,0,0,0,0|1,0,2]=4 319 B7R0.1 CCCSSCC=C TS40693 [0,1,0,0,0,0|3,0,0]=4 320 B7R0.1 CCCSSCCC TS40941 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.1 CCNCCCCN TS36623 [0,1,0,0,0,0|1,0,2]=4 322 B7R0.1 CCNCCCCO TS32294 [0,1,0,0,0,0|0,0,2]=3 323 B7R0.1 CCNCCNCC TS32258 [0,1,0,0,0,0|2,0,1]=4 324 B7R0.1 CCOCCCCCl TS06141 [0,1,0,0,0,0|1,0,2]=4 325 B7R0.1 CCOCCOCC TS32341 [0,1,0,0,0,0|2,0,1]=4 326 B7R0.1 CNCCNCCN TS32303 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.1 COCC#CCOC TS04446 [0,1,0,0,0,0|1,0,2]=4 328 B7R0.1 COCC=CCOC TS04586 [0,1,0,0,0,0|1,0,0]=2 329 B7R0.1 COCCOCCBr TS48373 [0,1,0,0,0,0|2,0,1]=4 330 B7R0.1 COCCOCCCl TS37251 [0,1,0,0,0,0|2,0,1]=4 331 B7R0.3 C(C=CC(=O)CCl)N TS64929 [0,1,0,0,0,0|2,0,1]=4 332 B7R0.3 C(CC(CO)O)CO TS32424 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.3 CCC#CC(CC)O TS31952 [0,1,0,0,0,0|1,0,2]=4 334 B7R0.3 CCC(=CCC=C)C TS04221 [0,1,0,0,0,0|1,0,2]=4 335 B7R0.3 CCC(=O)NCCO TS32284 [0,1,0,0,0,0|1,0,2]=4 336 B7R0.3 CCC(C)CC=CC TS31972 [0,1,0,0,0,0|1,0,2]=4 337 B7R0.3 CCC(C=CC=O)O TS04431 [0,1,0,0,0,0|0,0,2]=3 338 B7R0.3 CCC=CC(=O)OC TS56262 [0,1,0,0,0,0|2,0,1]=4 339 B7R0.3 CCC=CC(C)CC TS31968 [0,1,0,0,0,0|1,0,0]=2 340 B7R0.3 CCCCC(=C)CC TS04366 [0,1,0,0,0,0|1,0,1]=3 341 B7R0.3 CCCCC(=CC)C TS04336 [0,1,0,0,0,0|1,0,2]=4 342 B7R0.3 CCCCC(=NO)C TS04540 [0,1,0,0,0,0|1,0,1]=3 343 B7R0.3 CCCCC(=O)CC TS04462 [0,1,0,0,0,0|1,0,1]=3 344 B7R0.3 CCCCC(=O)NC TS32169 [0,1,0,0,0,0|2,0,1]=4 345 B7R0.3 CCCCC(=O)NN TS04606 [0,1,0,0,0,0|2,0,1]=4 346 B7R0.3 CCCCC(=O)OC TS32226 [0,1,0,0,0,0|2,0,1]=4 347 B7R0.3 CCCCC(C)CBr TS14345 [0,1,0,0,0,0|1,0,2]=4 348 B7R0.3 CCCCC(C)CC TS32121 [0,1,0,0,0,0|1,0,2]=4 349 B7R0.3 CCCCC(C)CO TS32251 [0,1,0,0,0,0|0,0,2]=3 350 B7R0.3 CCCCC(CBr)Br TS85274 [0,1,0,0,0,0|1,0,2]=4 351 B7R0.3 CCCCC(CC)Br TS14340 [0,1,0,0,0,0|1,0,2]=4 352 B7R0.3 CCCCC(CC)N TS04554 [0,1,0,0,0,0|1,0,2]=4 353 B7R0.3 CCCCC(CC)O TS04628 [0,1,0,0,0,0|1,0,2]=4 354 B7R0.3 CCCCC(CCl)Cl TS10545 [0,1,0,0,0,0|1,0,2]=4 355 B7R0.3 CCCCC(CO)N TS32290 [0,1,0,0,0,0|0,0,2]=3 356 B7R0.3 CCCCC(CO)O TS32342 [0,1,0,0,0,0|0,0,2]=3 357 B7R0.3 CCCC[C@@H](CO)N TS32293 [0,1,0,0,0,0|0,0,2]=3 358 B7R0.3 CCCC[C@H](CO)N TS32292 [0,1,0,0,0,0|0,0,2]=3 359 B7R0.3 CCCNC(C)CC TS04555 [0,1,0,0,0,0|2,0,1]=4 360 B7R0.3 CCCOC(=O)C=C TS04429 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.3 CCCOC(=O)CCl TS06137 [0,1,0,0,0,0|2,0,0]=3 362 B7R0.3 CCCOC(=O)CN TS41315 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.3 CCCOC(=O)OC TS32321 [0,1,0,0,0,0|3,0,0]=4 364 B7R0.3 CCCOC(=S)S[K] TS13575 [0,1,0,0,0,0|3,0,0]=4 365 B7R0.3 CCCSC(=O)CC TS05773 [0,1,0,0,0,0|2,0,0]=3 366 B7R0.3 CCOC=C(C)C=O TS04427 [0,1,0,0,0,0|1,0,2]=4 367 B7R0.3 CCOCC(CO)O TS04807 [0,1,0,0,0,0|1,0,2]=4 368 B7R0.3 CCSCC(CO)O TS06111 [0,1,0,0,0,0|1,0,2]=4 369 B7R0.3 CC[C@H](C)CCCO TS04624 [0,1,0,0,0,0|0,0,2]=3 370 B7R0.3 COC(=O)C=CCBr TS47660 [0,1,0,0,0,0|2,0,1]=4 371 B7R0.3 COC(=O)C=CCBr TS93086 [0,1,0,0,0,0|2,0,1]=4 372 B7R0.3 COCOC(=C)CCl TS06136 [0,1,0,0,0,0|3,0,0]=4 373 B7R0.3 CSCCC(CO)N TS06018 [0,1,0,0,0,0|1,0,2]=4 374 B7R0.3 CSCC[C@@H](CO)N TS07679 [0,1,0,0,0,0|1,0,2]=4 375 B7R0.3 CSCC[C@H](CO)N TS22806 [0,1,0,0,0,0|1,0,2]=4 376 B7R0.3 C[C@H](CO)OCOC TS94527 [0,1,0,0,0,0|2,0,1]=4 377 B7R0.4 B(C=CCCC)(O)O TS04408 [0,1,0,0,0,0|1,0,0]=2 378 B7R0.4 B(CCCCC)(O)O TS01615 [0,1,0,0,0,0|1,0,2]=4 379 B7R0.4 CC(C)CCCCBr TS14341 [0,1,0,0,0,0|1,0,2]=4 380 B7R0.4 CC(C)CCCCCl TS36890 [0,1,0,0,0,0|1,0,2]=4 381 B7R0.4 CC(C)COCCO TS04743 [0,1,0,0,0,0|1,0,1]=3 382 B7R0.4 CC(C)CSCCO TS36873 [0,1,0,0,0,0|1,0,1]=3 383 B7R0.4 CC(CCCCO)O TS04744 [0,1,0,0,0,0|0,0,2]=3 384 B7R0.4 CC(CNCCN)O TS32351 [0,1,0,0,0,0|2,0,1]=4 385 B7R0.4 CC=CC=CC(=O)O TS31914 [0,1,0,0,0,0|0,0,3]=4 386 B7R0.4 CC=CCCC(C)C TS31977 [0,1,0,0,0,0|1,0,2]=4 387 B7R0.4 CCC#CCC(C)C TS04215 [0,1,0,0,0,0|1,0,2]=4 388 B7R0.4 CCC#CCC(C)O TS31938 [0,1,0,0,0,0|0,0,3]=4 389 B7R0.4 CCC=CCC(=O)O TS04425 [0,1,0,0,0,0|0,0,3]=4 390 B7R0.4 CCC=CCC(C)C TS04361 [0,1,0,0,0,0|1,0,0]=2 391 B7R0.4 CCCC#CC(=O)O TS31912 [0,1,0,0,0,0|0,0,3]=4 392 B7R0.4 CCCC=CC(=O)C TS31936 [0,1,0,0,0,0|0,0,2]=3 393 B7R0.4 CCCC=CC(=O)O TS59547 [0,1,0,0,0,0|0,0,1]=2 394 B7R0.4 CCCC=CC(C)C TS04365 [0,1,0,0,0,0|1,0,0]=2 395 B7R0.4 CCCCC=C(C)C TS04347 [0,1,0,0,0,0|1,0,2]=4 396 B7R0.4 CCCCCC(=O)O TS32204 [0,1,0,0,0,0|0,0,3]=4 397 B7R0.4 CCCCCC(C)Br TS14342 [0,1,0,0,0,0|1,0,2]=4 398 B7R0.4 CCCCCC(C)C TS32120 [0,1,0,0,0,0|1,0,2]=4 399 B7R0.4 CCCCCC(C)Cl TS05959 [0,1,0,0,0,0|1,0,2]=4 400 B7R0.4 CCCCCC(C)N TS04560 [0,1,0,0,0,0|1,0,2]=4 401 B7R0.4 CCCCCC(C)O TS32255 [0,1,0,0,0,0|0,0,2]=3 402 B7R0.4 CCCCC[C@@H](C)N TS04556 [0,1,0,0,0,0|1,0,2]=4 403 B7R0.4 CCCCC[C@@H](C)O TS04622 [0,1,0,0,0,0|0,0,2]=3 404 B7R0.4 CCCCC[C@H](C)N TS04553 [0,1,0,0,0,0|1,0,2]=4 405 B7R0.4 CCCCC[C@H](C)O TS32248 [0,1,0,0,0,0|0,0,2]=3 406 B7R0.4 CCCCOC(Cl)Cl TS10816 [0,1,0,0,0,0|2,0,1]=4 407 B7R0.4 CCCCSC(C)C TS05791 [0,1,0,0,0,0|2,0,1]=4 408 B7R0.4 CCCNCC(=O)O TS04670 [0,1,0,0,0,0|1,0,2]=4 409 B7R0.4 CCCOCC(=O)O TS32314 [0,1,0,0,0,0|1,0,2]=4 410 B7R0.4 CCCOCC(C)O TS04740 [0,1,0,0,0,0|1,0,1]=3 411 B7R0.4 CCCSCC(=O)O TS05921 [0,1,0,0,0,0|1,0,2]=4 412 B7R0.4 CCCSCC(C)C TS05789 [0,1,0,0,0,0|2,0,1]=4 413 B7R0.4 CCOC=CC(=O)Cl TS05940 [0,1,0,0,0,0|1,0,2]=4 414 B7R0.4 CCOC=CC(=O)O TS32181 [0,1,0,0,0,0|1,0,1]=3 415 B7R0.4 CCOC=C[SiH](C)C TS05619 [0,1,0,0,0,0|2,1,0]=4 416 B7R0.4 CCSCCC(C)C TS05793 [0,1,0,0,0,0|2,0,1]=4 417 B7R0.4 CN(C)CCCCO TS32288 [0,1,0,0,0,0|1,0,2]=4 418 B7R0.4 C[C@H](CCCCO)O TS04737 [0,1,0,0,0,0|0,0,2]=3 419 B7R0.7 C(CCl)C(=O)CCCl TS46816 [0,1,0,0,0,0|2,0,1]=4 420 B7R0.7 C(CO)C(=O)CCO TS04717 [0,1,0,0,0,0|1,0,1]=3 421 B7R0.7 C(CS(=O)CCO)O TS06287 [0,1,0,0,0,0|2,0,1]=4 422 B7R0.7 C(NC(=O)NCO)O TS32411 [0,1,0,0,0,0|3,0,0]=4 423 B7R0.7 C(NC(=S)NCO)O TS37003 [0,1,0,0,0,0|3,0,0]=4 424 B7R0.7 CC(CCO)CCO TS04739 [0,1,0,0,0,0|1,0,2]=4 425 B7R0.7 CCCC(=CCC)C TS31954 [0,1,0,0,0,0|1,0,0]=2 426 B7R0.7 CCCC(=O)CCC TS32100 [0,1,0,0,0,0|1,0,1]=3 427 B7R0.7 CCCC(=O)OC=C TS04453 [0,1,0,0,0,0|2,0,1]=4 428 B7R0.7 CCCC(=O)OCC TS32219 [0,1,0,0,0,0|2,0,0]=3 429 B7R0.7 CCCC(=O)OCCl TS55810 [0,1,0,0,0,0|2,0,0]=3 430 B7R0.7 CCCC(=S)OCC TS05779 [0,1,0,0,0,0|2,0,0]=3 431 B7R0.7 CCCC(=S)OCC TS07488 [0,1,0,0,0,0|2,0,0]=3 432 B7R0.7 CCCC(C)C=NO TS32167 [0,1,0,0,0,0|1,0,1]=3 433 B7R0.7 CCCC(C)CCC TS04512 [0,1,0,0,0,0|1,0,2]=4 434 B7R0.7 CCCC(C)CCO TS32249 [0,1,0,0,0,0|0,0,2]=3 435 B7R0.7 CCCC(C)OCC TS32250 [0,1,0,0,0,0|2,0,1]=4 436 B7R0.7 CCCC(C=CC)O TS04465 [0,1,0,0,0,0|1,0,2]=4 437 B7R0.7 CCCC(CCC)Br TS14339 [0,1,0,0,0,0|1,0,2]=4 438 B7R0.7 CCCC(CCC)Cl TS36889 [0,1,0,0,0,0|1,0,2]=4 439 B7R0.7 CCCC(CCC)N TS02992 [0,1,0,0,0,0|1,0,2]=4 440 B7R0.7 CCCC(CCC)O TS04625 [0,1,0,0,0,0|1,0,2]=4 441 B7R0.7 CCCC(CCC)[Zn+] TS62077 [0,1,0,0,0,0|1,0,2]=4 442 B7R0.7 CCCC(CCO)S TS36876 [0,1,0,0,0,0|0,0,2]=3 443 B7R0.7 CCCN(C)CCC TS04549 [0,1,0,0,0,0|2,0,1]=4 444 B7R0.7 CCCS(=O)CCC TS36875 [0,1,0,0,0,0|2,0,1]=4 445 B7R0.7 CCC[C@@H](C)CCO TS32231 [0,1,0,0,0,0|0,0,2]=3 446 B7R0.7 CCNC(=O)NCC TS04609 [0,1,0,0,0,0|3,0,0]=4 447 B7R0.7 CCNC(=O)OCC TS04671 [0,1,0,0,0,0|3,0,0]=4 448 B7R0.7 CCNC(=S)NCC TS05780 [0,1,0,0,0,0|3,0,0]=4 449 B7R0.7 CCOC(=C)OCC TS56207 [0,1,0,0,0,0|3,0,0]=4 450 B7R0.7 CCOC(=O)C=CC TS04436 [0,1,0,0,0,0|2,0,1]=4 451 B7R0.7 CCOC(=O)C=CI TS52258 [0,1,0,0,0,0|2,0,1]=4 452 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [0,1,0,0,0,0|3,0,0]=4 453 B7R0.7 CCOC(=O)CCBr TS08511 [0,1,0,0,0,0|2,0,1]=4 454 B7R0.7 CCOC(=O)CCCl TS66003 [0,1,0,0,0,0|2,0,1]=4 455 B7R0.7 CCOC(=O)CCI TS56139 [0,1,0,0,0,0|2,0,1]=4 456 B7R0.7 CCOC(=O)CCN TS01886 [0,1,0,0,0,0|2,0,1]=4 457 B7R0.7 CCOC(=O)CCN TS04667 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.7 CCOC(=O)CCS TS05923 [0,1,0,0,0,0|1,1,1]=4 459 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.7 CCOC(=O)CNC TS01479 [0,1,0,0,0,0|3,0,0]=4 461 B7R0.7 CCOC(=O)COC TS32327 [0,1,0,0,0,0|3,0,0]=4 462 B7R0.7 CCOC(=O)CSC TS05917 [0,1,0,0,0,0|3,0,0]=4 463 B7R0.7 CCOC(=O)OCC TS32315 [0,1,0,0,0,0|3,0,0]=4 464 B7R0.7 CCOC(=O)OCCl TS37245 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.7 CCSC(=O)SCC TS40933 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.7 CN(CCO)CCO TS04786 [0,1,0,0,0,0|2,0,1]=4 467 B7R1.1 C1C(OCO1)CO TS31671 [0,0,0,1,0,0|2,0,1]=4 468 B7R1.1 C1C=C(CS1)C=O TS04454 [0,0,0,1,0,0|1,0,2]=4 469 B7R1.1 C1CC(=NO)NC1 TS03851 [0,0,0,1,0,0|2,0,0]=3 470 B7R1.1 C1CC(NC1)CN TS08246 [0,0,0,1,0,0|2,0,1]=4 471 B7R1.1 C1CC(OC1)CBr TS42845 [0,0,0,1,0,0|1,0,2]=4 472 B7R1.1 C1CC(OC1)CCl TS32449 [0,0,0,1,0,0|1,0,2]=4 473 B7R1.1 C1CC(OC1)CN TS39685 [0,0,0,1,0,0|1,0,2]=4 474 B7R1.1 C1CC(OC1)CO TS59435 [0,0,0,1,0,0|1,0,1]=3 475 B7R1.1 C1CC=C(C1)C#N TS71878 [0,0,0,1,0,0|1,0,1]=3 476 B7R1.1 C1CC=C(C1)CBr TS90531 [0,0,0,1,0,0|1,0,0]=2 477 B7R1.1 C1CCC(C1)CBr TS16535 [0,0,0,1,0,0|1,0,2]=4 478 B7R1.1 C1CCC(C1)CO TS31527 [0,0,0,1,0,0|0,0,2]=3 479 B7R1.1 C1CCC(C1)CO TS44787 [0,0,0,1,0,0|0,0,2]=3 480 B7R1.1 C1CCN(C1)CI TS43938 [0,0,0,1,0,0|2,0,1]=4 481 B7R1.1 C1CN=C(N1)CCl TS08710 [0,0,0,1,0,0|3,0,0]=4 482 B7R1.1 C1CNCC1CO TS01674 [0,0,0,1,0,0|1,0,2]=4 483 B7R1.1 C1CNCC1CO TS90843 [0,0,0,1,0,0|1,0,2]=4 484 B7R1.1 C1CNC[C@@H]1CO TS86165 [0,0,0,1,0,0|1,0,2]=4 485 B7R1.1 C1CNC[C@@H]1CO TS87755 [0,0,0,1,0,0|1,0,2]=4 486 B7R1.1 C1CNC[C@H]1CO TS90835 [0,0,0,1,0,0|1,0,2]=4 487 B7R1.1 C1CNC[C@H]1CO TS91204 [0,0,0,1,0,0|1,0,2]=4 488 B7R1.1 C1COC(O1)CBr TS12331 [0,0,0,1,0,0|2,0,1]=4 489 B7R1.1 C1COC(O1)CCl TS04942 [0,0,0,1,0,0|2,0,1]=4 490 B7R1.1 C1COCC1CO TS90635 [0,0,0,1,0,0|1,0,2]=4 491 B7R1.1 C1COC[C@@H]1CO TS90533 [0,0,0,1,0,0|1,0,2]=4 492 B7R1.1 C1COC[C@H]1CO TS91740 [0,0,0,1,0,0|1,0,2]=4 493 B7R1.1 C1C[C@@H](NC1)CO TS55885 [0,0,0,1,0,0|1,0,1]=3 494 B7R1.1 C1C[C@@H](OC1)CN TS08645 [0,0,0,1,0,0|1,0,2]=4 495 B7R1.1 C1C[C@H](NC1)CF TS37317 [0,0,0,1,0,0|2,0,1]=4 496 B7R1.1 C1C[C@H](NC1)CF TS86985 [0,0,0,1,0,0|2,0,1]=4 497 B7R1.1 C1C[C@H](NC1)CN TS03869 [0,0,0,1,0,0|2,0,1]=4 498 B7R1.1 C1C[C@H](NC1)CN TS86369 [0,0,0,1,0,0|2,0,1]=4 499 B7R1.1 C1C[C@H](NC1)CO TS46675 [0,0,0,1,0,0|1,0,1]=3 500 B7R1.1 C1C[C@H](NC1)CO TS90617 [0,0,0,1,0,0|1,0,1]=3 501 B7R1.1 C1C[C@H](OC1)CN TS07684 [0,0,0,1,0,0|1,0,2]=4 502 B7R1.1 C1C[C@H](OC1)CO TS03948 [0,0,0,1,0,0|1,0,1]=3 503 B7R1.1 CC=C1CCCC1 TS03729 [0,0,0,1,0,0|1,0,2]=4 504 B7R1.1 CCC1=CCCC1 TS03731 [0,0,0,1,0,0|1,0,0]=2 505 B7R1.1 CCC1=NCCO1 TS03816 [0,0,0,1,0,0|1,0,2]=4 506 B7R1.1 CCC1CCC=C1 TS03720 [0,0,0,1,0,0|1,0,0]=2 507 B7R1.1 CCC1CCCC1 TS21020 [0,0,0,1,0,0|1,0,2]=4 508 B7R1.1 CCC1CCCC1 TS21612 [0,0,0,1,0,0|1,0,2]=4 509 B7R1.1 CCC1CCCC1 TS35071 [0,0,0,1,0,0|1,0,2]=4 510 B7R1.1 CCC1CCCC1 TS57108 [0,0,0,1,0,0|1,0,2]=4 511 B7R1.1 CCC1CCCC1 TS57519 [0,0,0,1,0,0|1,0,2]=4 512 B7R1.1 CCC1CCCC1 TS62096 [0,0,0,1,0,0|1,0,2]=4 513 B7R1.1 CCC1CCCC1 TS70230 [0,0,0,1,0,0|1,0,2]=4 514 B7R1.1 CCC1CCCC1 TS70344 [0,0,0,1,0,0|1,0,2]=4 515 B7R1.1 CCC1CCCC1 TS75798 [0,0,0,1,0,0|1,0,2]=4 516 B7R1.1 CCC1CCCC1 TS78923 [0,0,0,1,0,0|1,0,2]=4 517 B7R1.1 CCC1CCCC1 TS80049 [0,0,0,1,0,0|1,0,2]=4 518 B7R1.1 CCC1OCCO1 TS03937 [0,0,0,1,0,0|1,0,1]=3 519 B7R1.1 CCN1CCCC1 TS03828 [0,0,0,1,0,0|2,0,1]=4 520 B7R1.1 CCc1cc[nH]c1 TS03698 [0,0,0,1,0,0|2,0,1]=4 521 B7R1.1 CCc1ccc[nH]1 TS03700 [0,0,0,1,0,0|1,0,2]=4 522 B7R1.1 CCc1ccco1 TS31365 [0,0,0,1,0,0|0,0,2]=3 523 B7R1.1 CCc1cccs1 TS04335 [0,0,0,1,0,0|0,1,2]=4 524 B7R1.1 CCc1ccsc1 TS04333 [0,0,0,1,0,0|2,0,1]=4 525 B7R1.1 CCn1cccc1 TS03701 [0,0,0,1,0,0|2,0,1]=4 526 B7R1.1 CCn1cccn1 TS77180 [0,0,0,1,0,0|2,0,1]=4 527 B7R1.1 CCn1ccnc1 TS31376 [0,0,0,1,0,0|3,0,0]=4 528 B7R1.1 COC1=NCCC1 TS03819 [0,0,0,1,0,0|3,0,0]=4 529 B7R1.1 COC1OCCO1 TS31667 [0,0,0,1,0,0|2,0,1]=4 530 B7R1.1 COc1ccco1 TS03757 [0,0,0,1,0,0|1,0,2]=4 531 B7R1.1 c1c([nH]cn1)CO TS89152 [0,0,0,1,0,0|2,0,1]=4 532 B7R1.1 c1c(cn[nH]1)CO TS91560 [0,0,0,1,0,0|2,0,1]=4 533 B7R1.1 c1c(con1)CO TS31465 [0,0,0,1,0,0|2,0,1]=4 534 B7R1.1 c1c(nc[nH]1)CO TS70769 [0,0,0,1,0,0|2,0,1]=4 535 B7R1.1 c1c(nco1)CO TS90371 [0,0,0,1,0,0|2,0,1]=4 536 B7R1.1 c1c(ncs1)CO TS04539 [0,0,0,1,0,0|2,0,1]=4 537 B7R1.1 c1c(nn[nH]1)CO TS31474 [0,0,0,1,0,0|3,0,0]=4 538 B7R1.1 c1c(ocn1)CO TS91185 [0,0,0,1,0,0|2,0,1]=4 539 B7R1.1 c1c(scn1)CO TS71321 [0,0,0,1,0,0|2,0,1]=4 540 B7R1.1 c1c[nH]nc1CO TS88889 [0,0,0,1,0,0|2,0,1]=4 541 B7R1.1 c1cc(oc1)CN TS03749 [0,0,0,1,0,0|1,0,2]=4 542 B7R1.1 c1cc(oc1)CO TS03766 [0,0,0,1,0,0|1,0,2]=4 543 B7R1.1 c1cc(oc1)CS TS32087 [0,0,0,1,0,0|1,0,2]=4 544 B7R1.1 c1cc(sc1)CO TS32088 [0,0,0,1,0,0|1,0,2]=4 545 B7R1.1 c1cnoc1CN TS01391 [0,0,0,1,0,0|2,0,1]=4 546 B7R1.1 c1cnoc1CN TS56201 [0,0,0,1,0,0|2,0,1]=4 547 B7R1.1 c1cnoc1CO TS31470 [0,0,0,1,0,0|2,0,1]=4 548 B7R1.1 c1cocc1CO TS02782 [0,0,0,1,0,0|1,0,2]=4 549 B7R1.1 c1conc1CO TS31471 [0,0,0,1,0,0|2,0,1]=4 550 B7R1.1 c1cscc1CO TS70716 [0,0,0,1,0,0|1,0,2]=4 551 B7R1.3 C1C(COCO1)O TS31668 [0,0,0,1,0,0|2,0,1]=4 552 B7R1.3 C1CC(CC=C1)Br TS11358 [0,0,0,1,0,0|2,0,0]=3 553 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,0,0,1,0,0|2,0,0]=3 554 B7R1.3 C1CC(CC=C1)O TS31422 [0,0,0,1,0,0|0,0,2]=3 555 B7R1.3 C1CC(CNC1)Br TS09491 [0,0,0,1,0,0|2,0,1]=4 556 B7R1.3 C1CC(CNC1)Br TS42661 [0,0,0,1,0,0|2,0,1]=4 557 B7R1.3 C1CC(CNC1)Cl TS41570 [0,0,0,1,0,0|2,0,1]=4 558 B7R1.3 C1CC(CNC1)F TS37316 [0,0,0,1,0,0|2,0,1]=4 559 B7R1.3 C1CC(CNC1)N TS02666 [0,0,0,1,0,0|2,0,1]=4 560 B7R1.3 C1CC(CNC1)O TS02796 [0,0,0,1,0,0|1,0,1]=3 561 B7R1.3 C1CC(CNC1)O TS16254 [0,0,0,1,0,0|1,0,1]=3 562 B7R1.3 C1CC(CNC1)O TS28091 [0,0,0,1,0,0|1,0,1]=3 563 B7R1.3 C1CC(CNC1)S TS91720 [0,0,0,1,0,0|1,1,1]=4 564 B7R1.3 C1CC(COC1)Br TS42847 [0,0,0,1,0,0|2,0,1]=4 565 B7R1.3 C1CC(COC1)I TS44102 [0,0,0,1,0,0|2,0,1]=4 566 B7R1.3 C1CC(COC1)N TS39962 [0,0,0,1,0,0|2,0,1]=4 567 B7R1.3 C1CC(COC1)N TS90719 [0,0,0,1,0,0|2,0,1]=4 568 B7R1.3 C1CC(COC1)O TS59831 [0,0,0,1,0,0|1,0,1]=3 569 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,0,0,1,0,0|0,0,2]=3 570 B7R1.3 C1CC=CC(C1)Br TS11359 [0,0,0,1,0,0|1,0,0]=2 571 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,0,0,1,0,0|1,0,0]=2 572 B7R1.3 C1CC=CC(C1)O TS59964 [0,0,0,1,0,0|0,0,0]=1 573 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,0,0,1,0,0|1,0,2]=4 574 B7R1.3 C1CCC(CC1)Br TS33231 [0,0,0,1,0,0|1,0,2]=4 575 B7R1.3 C1CCC(CC1)Cl TS39830 [0,0,0,1,0,0|1,0,2]=4 576 B7R1.3 C1CCC(CC1)F TS31606 [0,0,0,1,0,0|1,0,2]=4 577 B7R1.3 C1CCC(CC1)I TS43723 [0,0,0,1,0,0|1,0,2]=4 578 B7R1.3 C1CCC(CC1)N TS03833 [0,0,0,1,0,0|1,0,2]=4 579 B7R1.3 C1CCC(CC1)N TS06026 [0,0,0,1,0,0|1,0,2]=4 580 B7R1.3 C1CCC(CC1)N TS14508 [0,0,0,1,0,0|1,0,2]=4 581 B7R1.3 C1CCC(CC1)N TS18426 [0,0,0,1,0,0|1,0,2]=4 582 B7R1.3 C1CCC(CC1)O TS31506 [0,0,0,1,0,0|0,0,2]=3 583 B7R1.3 C1CCC(CC1)P TS04576 [0,0,0,1,0,0|1,0,2]=4 584 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [0,0,0,1,0,0|1,0,2]=4 585 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [0,0,0,1,0,0|1,0,2]=4 586 B7R1.3 C1CCN(CC1)O TS31559 [0,0,0,1,0,0|1,0,2]=4 587 B7R1.3 C1CCNC(C1)Br TS42662 [0,0,0,1,0,0|2,0,1]=4 588 B7R1.3 C1CCNC(C1)Cl TS04802 [0,0,0,1,0,0|2,0,1]=4 589 B7R1.3 C1CCNC(C1)N TS03877 [0,0,0,1,0,0|2,0,1]=4 590 B7R1.3 C1CCNC(C1)O TS03900 [0,0,0,1,0,0|1,0,1]=3 591 B7R1.3 C1CCOC(C1)O TS31590 [0,0,0,1,0,0|1,0,1]=3 592 B7R1.3 C1CNCCC1O TS37141 [0,0,0,1,0,0|1,0,2]=4 593 B7R1.3 C1CNCCC1O TS71282 [0,0,0,1,0,0|1,0,2]=4 594 B7R1.3 C1COC(=O)C=C1 TS03767 [0,0,0,1,0,0|1,0,2]=4 595 B7R1.3 C1COCCC1O TS59433 [0,0,0,1,0,0|1,0,2]=4 596 B7R1.3 C1COCCC1O TS85905 [0,0,0,1,0,0|1,0,2]=4 597 B7R1.3 C1CSCCC1O TS59441 [0,0,0,1,0,0|1,0,2]=4 598 B7R1.3 C1C[C@@H](CNC1)F TS89045 [0,0,0,1,0,0|2,0,1]=4 599 B7R1.3 C1C[C@@H](CNC1)N TS03872 [0,0,0,1,0,0|2,0,1]=4 600 B7R1.3 C1C[C@@H](CNC1)O TS46664 [0,0,0,1,0,0|1,0,1]=3 601 B7R1.3 C1C[C@H](CNC1)F TS92720 [0,0,0,1,0,0|2,0,1]=4 602 B7R1.3 C1C[C@H](CNC1)N TS93699 [0,0,0,1,0,0|2,0,1]=4 603 B7R1.3 C1C[C@H](CNC1)O TS88232 [0,0,0,1,0,0|1,0,1]=3 604 B7R1.3 C1C[C@H](CNC1)O TS89282 [0,0,0,1,0,0|1,0,1]=3 605 B7R1.3 CC1CC=CC=C1 TS03676 [0,0,0,1,0,0|1,0,1]=3 606 B7R1.3 CC1CCCCC1 TS02317 [0,0,0,1,0,0|1,0,2]=4 607 B7R1.3 CC1CCCCO1 TS31512 [0,0,0,1,0,0|0,0,2]=3 608 B7R1.3 CC1CCCNC1 TS70672 [0,0,0,1,0,0|2,0,1]=4 609 B7R1.3 CC1CCNCC1 TS03831 [0,0,0,1,0,0|2,0,1]=4 610 B7R1.3 CC1CCOCO1 TS03947 [0,0,0,1,0,0|1,0,1]=3 611 B7R1.3 CC1CNCCO1 TS02170 [0,0,0,1,0,0|1,0,1]=3 612 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,0,0,1,0,0|1,0,2]=4 613 B7R1.3 C[C@@H]1CNCCN1 TS08073 [0,0,0,1,0,0|2,0,1]=4 614 B7R1.3 C[C@@H]1CNCCO1 TS03899 [0,0,0,1,0,0|1,0,1]=3 615 B7R1.3 C[C@@H]1CNCCO1 TS08072 [0,0,0,1,0,0|1,0,1]=3 616 B7R1.3 C[C@@H]1COCCN1 TS01972 [0,0,0,1,0,0|2,0,1]=4 617 B7R1.3 C[C@H]1CNCCN1 TS06145 [0,0,0,1,0,0|2,0,1]=4 618 B7R1.3 C[C@H]1CNCCN1 TS22969 [0,0,0,1,0,0|2,0,1]=4 619 B7R1.3 C[C@H]1CNCCN1 TS45580 [0,0,0,1,0,0|2,0,1]=4 620 B7R1.3 C[C@H]1CNCCO1 TS89643 [0,0,0,1,0,0|1,0,1]=3 621 B7R1.3 C[C@H]1COCCN1 TS46666 [0,0,0,1,0,0|2,0,1]=4 622 B7R1.4 C1CC(C(C1)O)N TS03905 [0,0,0,1,0,0|1,0,2]=4 623 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [0,0,0,1,0,0|1,0,2]=4 624 B7R1.4 C1C[C@@H]([C@H](C1)O)O TS03951 [0,0,0,1,0,0|1,0,2]=4 625 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [0,0,0,1,0,0|1,0,2]=4 626 B7R1.4 C1C[C@H]([C@@H](C1)O)O TS03935 [0,0,0,1,0,0|1,0,2]=4 627 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [0,0,0,1,0,0|1,0,2]=4 628 B7R1.4 C1C[C@H]([C@H](C1)O)O TS03956 [0,0,0,1,0,0|1,0,2]=4 629 B7R1.4 C1[C@@H]([C@H](CN1)O)O TS87014 [0,0,0,1,0,0|2,0,1]=4 630 B7R1.4 C1[C@@H]([C@H](CO1)O)O TS31674 [0,0,0,1,0,0|2,0,1]=4 631 B7R1.4 C1[C@H]([C@@H](CN1)F)O TS92108 [0,0,0,1,0,0|2,0,1]=4 632 B7R1.4 C1[C@H]([C@@H](CN1)O)O TS89590 [0,0,0,1,0,0|2,0,1]=4 633 B7R1.4 C1[C@H]([C@H](CN1)O)O TS91803 [0,0,0,1,0,0|2,0,1]=4 634 B7R1.4 CC1CCC=C1C TS31386 [0,0,0,1,0,0|1,0,2]=4 635 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [0,0,0,1,0,0|1,0,2]=4 636 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [0,0,0,1,0,0|1,0,2]=4 637 B7R1.6 C1C(=CC#N)CO1 TS86797 [0,0,0,1,0,0|2,0,1]=4 638 B7R1.6 C1C(CO1)CCO TS86834 [0,0,0,1,0,0|1,0,2]=4 639 B7R1.6 C1CC(C1)CCN TS88922 [0,0,0,1,0,0|1,0,2]=4 640 B7R1.6 C1CN(C1)CCCl TS92407 [0,0,0,1,0,0|2,0,1]=4 641 B7R1.7 C1CC1OCCCl TS46506 [0,0,0,1,0,0|2,0,1]=4 642 B7R1.7 CCCCC1CO1 TS31525 [0,0,0,1,0,0|0,0,2]=3 643 B7R1.7 CCCC[C@@H]1CO1 TS31508 [0,0,0,1,0,0|0,0,2]=3 644 B7R1.7 CCOCC1CO1 TS03943 [0,0,0,1,0,0|1,0,2]=4 645 B7R1.24 C1C=CCOCO1 TS03849 [0,0,0,1,0,0|1,0,0]=2 646 B7R1.24 C1CC=CC=CC1 TS03682 [0,0,0,1,0,0|1,0,1]=3 647 B7R1.24 C1CCC=CCC1 TS31384 [0,0,0,1,0,0|1,0,0]=2 648 B7R1.24 C1CCCCCC1 TS03793 [0,0,0,1,0,0|1,0,2]=4 649 B7R1.24 C1CCCNCC1 TS39804 [0,0,0,1,0,0|1,0,2]=4 650 B7R1.24 C1CCCOCC1 TS31519 [0,0,0,1,0,0|0,0,2]=3 651 B7R1.24 C1CCCSCC1 TS04639 [0,0,0,1,0,0|0,1,2]=4 652 B7R1.24 C1CCOCOC1 TS03952 [0,0,0,1,0,0|1,0,1]=3 653 B7R1.24 C1CCSCSC1 TS36881 [0,0,0,1,0,0|1,1,1]=4 654 B7R1.24 C1CNCCNC1 TS08536 [0,0,0,1,0,0|2,0,1]=4 655 B7R1.24 C1CNCCOC1 TS02067 [0,0,0,1,0,0|1,0,1]=3 656 B4R0.2 C#CCCO TS09504 [2,0,0,0,0,0|0,0,2]=4 657 B4R0.2 C(C=CBr)Br TS37833 [2,0,0,0,0,0|2,0,0]=4 658 B4R0.2 C(C=CCl)Cl TS04226 [2,0,0,0,0,0|2,0,0]=4 659 B4R0.2 C(C=CCl)Cl TS04227 [2,0,0,0,0,0|2,0,0]=4 660 B4R0.2 C(C=CCl)Cl TS92961 [2,0,0,0,0,0|2,0,0]=4 661 B4R0.2 C(CBr)CBr TS46797 [2,0,0,0,0,0|2,0,0]=4 662 B4R0.2 C(CBr)CI TS27842 [2,0,0,0,0,0|2,0,0]=4 663 B4R0.2 C(CCl)C=O TS71867 [2,0,0,0,0,0|1,0,1]=4 664 B4R0.2 C(CCl)CBr TS46925 [2,0,0,0,0,0|2,0,0]=4 665 B4R0.2 C(CCl)CCl TS31994 [2,0,0,0,0,0|2,0,0]=4 666 B4R0.2 C(CF)CBr TS37464 [2,0,0,0,0,0|2,0,0]=4 667 B4R0.2 C(CF)CF TS71664 [2,0,0,0,0,0|2,0,0]=4 668 B4R0.2 C(CI)CI TS93960 [2,0,0,0,0,0|2,0,0]=4 669 B4R0.2 C(CN)CBr TS09494 [2,0,0,0,0,0|2,0,0]=4 670 B4R0.2 C(CN)CCl TS00183 [2,0,0,0,0,0|2,0,0]=4 671 B4R0.2 C(CN)CF TS04405 [2,0,0,0,0,0|2,0,0]=4 672 B4R0.2 C(CN)CN TS07879 [2,0,0,0,0,0|2,0,0]=4 673 B4R0.2 C(CN)CN TS34480 [2,0,0,0,0,0|2,0,0]=4 674 B4R0.2 C(CN)CN TS40489 [2,0,0,0,0,0|2,0,0]=4 675 B4R0.2 C(CN)CO TS04258 [2,0,0,0,0,0|1,0,0]=3 676 B4R0.2 C(CN)CO TS08858 [2,0,0,0,0,0|1,0,0]=3 677 B4R0.2 C(CO)C#N TS02797 [2,0,0,0,0,0|1,0,1]=4 678 B4R0.2 C(CO)CBr TS59604 [2,0,0,0,0,0|1,0,0]=3 679 B4R0.2 C(CO)CCl TS02021 [2,0,0,0,0,0|1,0,0]=3 680 B4R0.2 C(CO)CF TS00151 [2,0,0,0,0,0|1,0,0]=3 681 B4R0.2 C(CO)CI TS70633 [2,0,0,0,0,0|1,0,0]=3 682 B4R0.2 C(CO)CO TS00379 [2,0,0,0,0,0|1,0,0]=3 683 B4R0.2 C(CO)NN TS55378 [2,0,0,0,0,0|2,0,0]=4 684 B4R0.2 C(CP)CP TS04129 [2,0,0,0,0,0|2,0,0]=4 685 B4R0.2 C(CS)CCl TS31868 [2,0,0,0,0,0|1,1,0]=4 686 B4R0.2 C(CS)CS TS04153 [2,0,0,0,0,0|1,1,0]=4 687 B4R0.2 C=CCC#C TS66005 [2,0,0,0,0,0|0,0,2]=4 688 B4R0.2 C=CCC#N TS70615 [2,0,0,0,0,0|1,0,1]=4 689 B4R0.2 C=CCC=C TS70907 [2,0,0,0,0,0|0,0,2]=4 690 B4R0.2 C=CCCBr TS03033 [2,0,0,0,0,0|1,0,0]=3 691 B4R0.2 C=CCCCl TS03638 [2,0,0,0,0,0|1,0,0]=3 692 B4R0.2 C=CCCN TS01596 [2,0,0,0,0,0|1,0,0]=3 693 B4R0.2 C=CCCN TS04120 [2,0,0,0,0,0|1,0,0]=3 694 B4R0.2 C=CCCO TS71598 [2,0,0,0,0,0|1,0,0]=3 695 B4R0.2 C=CCNN TS55729 [2,0,0,0,0,0|2,0,0]=4 696 B4R0.2 C=CCON TS31812 [2,0,0,0,0,0|2,0,0]=4 697 B4R0.2 C=CC[Mg]Br TS07129 [2,0,0,0,0,0|2,0,0]=4 698 B4R0.2 C=CC[Pd]Cl TS79784 [2,0,0,0,0,0|2,0,0]=4 699 B4R0.2 CC#CCO TS03272 [2,0,0,0,0,0|0,0,2]=4 700 B4R0.2 CC=CC#C TS66004 [2,0,0,0,0,0|0,0,2]=4 701 B4R0.2 CC=CC=C TS06116 [2,0,0,0,0,0|0,0,2]=4 702 B4R0.2 CC=CC=C TS71007 [2,0,0,0,0,0|0,0,2]=4 703 B4R0.2 CC=CC=O TS16977 [2,0,0,0,0,0|0,0,2]=4 704 B4R0.2 CC=CCCl TS03634 [2,0,0,0,0,0|1,0,0]=3 705 B4R0.2 CC=CCN TS01395 [2,0,0,0,0,0|1,0,0]=3 706 B4R0.2 CC=CCO TS71604 [2,0,0,0,0,0|0,0,0]=2 707 B4R0.2 CC=COC TS71611 [2,0,0,0,0,0|1,0,0]=3 708 B4R0.2 CC=C[Mg]Br TS40351 [2,0,0,0,0,0|2,0,0]=4 709 B4R0.2 CCC#CC TS03009 [2,0,0,0,0,0|0,0,2]=4 710 B4R0.2 CCC=C=C TS70908 [2,0,0,0,0,0|0,0,2]=4 711 B4R0.2 CCC=CBr TS33033 [2,0,0,0,0,0|1,0,0]=3 712 B4R0.2 CCC=CC TS03361 [2,0,0,0,0,0|0,0,0]=2 713 B4R0.2 CCC=CCl TS03636 [2,0,0,0,0,0|1,0,0]=3 714 B4R0.2 CCC=CCl TS03637 [2,0,0,0,0,0|1,0,0]=3 715 B4R0.2 CCC=NS TS31707 [2,0,0,0,0,0|1,1,0]=4 716 B4R0.2 CCCC#C TS70989 [2,0,0,0,0,0|0,0,2]=4 717 B4R0.2 CCCC#N TS03176 [2,0,0,0,0,0|1,0,1]=4 718 B4R0.2 CCCC=O TS71609 [2,0,0,0,0,0|0,0,1]=3 719 B4R0.2 CCCCBr TS37077 [2,0,0,0,0,0|1,0,0]=3 720 B4R0.2 CCCCBr TS93069 [2,0,0,0,0,0|1,0,0]=3 721 B4R0.2 CCCCC TS71613 [2,0,0,0,0,0|0,0,1]=3 722 B4R0.2 CCCCCl TS39594 [2,0,0,0,0,0|1,0,0]=3 723 B4R0.2 CCCCF TS71643 [2,0,0,0,0,0|1,0,0]=3 724 B4R0.2 CCCCI TS48513 [2,0,0,0,0,0|1,0,0]=3 725 B4R0.2 CCCCN TS03383 [2,0,0,0,0,0|1,0,0]=3 726 B4R0.2 CCCCN TS04172 [2,0,0,0,0,0|1,0,0]=3 727 B4R0.2 CCCCO TS03407 [2,0,0,0,0,0|0,0,0]=2 728 B4R0.2 CCCCS TS71854 [2,0,0,0,0,0|0,1,0]=3 729 B4R0.2 CCCC[O-] TS31364 [2,0,0,0,0,0|0,0,1]=3 730 B4R0.2 CCCC[O-] TS64270 [2,0,0,0,0,0|0,0,1]=3 731 B4R0.2 CCCC[O-] TS66591 [2,0,0,0,0,0|0,0,1]=3 732 B4R0.2 CCCC[O-] TS67287 [2,0,0,0,0,0|0,0,1]=3 733 B4R0.2 CCCC[O-] TS82799 [2,0,0,0,0,0|0,0,1]=3 734 B4R0.2 CCCC[O-] TS83727 [2,0,0,0,0,0|0,0,1]=3 735 B4R0.2 CCCC[S-] TS31943 [2,0,0,0,0,0|0,1,0]=3 736 B4R0.2 CCCC[Si] TS71817 [2,0,0,0,0,0|1,0,0]=3 737 B4R0.2 CCCC[Zn+] TS19474 [2,0,0,0,0,0|1,0,0]=3 738 B4R0.2 CCCNC TS03381 [2,0,0,0,0,0|1,0,0]=3 739 B4R0.2 CCCOC TS03404 [2,0,0,0,0,0|1,0,0]=3 740 B4R0.2 CCCO[NH3+] TS04256 [2,0,0,0,0,0|2,0,0]=4 741 B4R0.2 CCCSC TS71857 [2,0,0,0,0,0|1,0,0]=3 742 B4R0.2 CCC[Mg]Br TS07380 [2,0,0,0,0,0|2,0,0]=4 743 B4R0.2 CCC[Mg]Cl TS31623 [2,0,0,0,0,0|2,0,0]=4 744 B4R0.2 CCC[Zn]Br TS50817 [2,0,0,0,0,0|2,0,0]=4 745 B4R0.2 CCNC=O TS03379 [2,0,0,0,0,0|1,0,1]=4 746 B4R0.2 CCNCC TS03384 [2,0,0,0,0,0|1,0,1]=4 747 B4R0.2 CCNCC TS04169 [2,0,0,0,0,0|1,0,1]=4 748 B4R0.2 CCNCC TS05835 [2,0,0,0,0,0|1,0,1]=4 749 B4R0.2 CCNCC TS10368 [2,0,0,0,0,0|1,0,1]=4 750 B4R0.2 CCNCC TS12959 [2,0,0,0,0,0|1,0,1]=4 751 B4R0.2 CCOC=C TS71601 [2,0,0,0,0,0|1,0,0]=3 752 B4R0.2 CCOC=O TS03393 [2,0,0,0,0,0|1,0,1]=4 753 B4R0.2 CCOCC TS03401 [2,0,0,0,0,0|1,0,1]=4 754 B4R0.2 CCOCC TS42371 [2,0,0,0,0,0|1,0,1]=4 755 B4R0.2 CCOCC TS43884 [2,0,0,0,0,0|1,0,1]=4 756 B4R0.2 CCOCC TS68115 [2,0,0,0,0,0|1,0,1]=4 757 B4R0.2 CCOCC TS79120 [2,0,0,0,0,0|1,0,1]=4 758 B4R0.2 CCOCCl TS39832 [2,0,0,0,0,0|2,0,0]=4 759 B4R0.2 CCPCC TS71830 [2,0,0,0,0,0|1,0,1]=4 760 B4R0.2 CCSC=C TS71813 [2,0,0,0,0,0|1,0,0]=3 761 B4R0.2 CCSCC TS71853 [2,0,0,0,0,0|1,0,1]=4 762 B4R0.2 CCSSC TS04155 [2,0,0,0,0,0|2,0,0]=4 763 B4R0.2 CC[Al+]CC TS32445 [2,0,0,0,0,0|1,0,1]=4 764 B4R0.2 CC[Al+]CC TS36486 [2,0,0,0,0,0|1,0,1]=4 765 B4R0.2 CC[Cd]CC TS45221 [2,0,0,0,0,0|1,0,1]=4 766 B4R0.2 CC[Ga+]CC TS42641 [2,0,0,0,0,0|1,0,1]=4 767 B4R0.2 CC[GeH2]CC TS36741 [2,0,0,0,0,0|0,1,1]=4 768 B4R0.2 CC[Hg]CC TS68206 [2,0,0,0,0,0|1,0,1]=4 769 B4R0.2 CC[Mg]CC TS71690 [2,0,0,0,0,0|1,0,1]=4 770 B4R0.2 CC[N-]CC TS71656 [2,0,0,0,0,0|1,0,1]=4 771 B4R0.2 CC[Se]CC TS37078 [2,0,0,0,0,0|1,0,1]=4 772 B4R0.2 CC[SiH2]CC TS71816 [2,0,0,0,0,0|0,1,1]=4 773 B4R0.2 CC[Te]CC TS15549 [2,0,0,0,0,0|1,0,1]=4 774 B4R0.2 CC[Zn]CC TS04983 [2,0,0,0,0,0|1,0,1]=4 775 B4R0.2 CNCCN TS03408 [2,0,0,0,0,0|2,0,0]=4 776 B4R0.2 CNCCO TS00099 [2,0,0,0,0,0|1,0,0]=3 777 B4R0.2 COCC=C TS94286 [2,0,0,0,0,0|1,0,0]=3 778 B4R0.2 COCC=O TS03388 [2,0,0,0,0,0|1,0,1]=4 779 B4R0.2 COCCBr TS65036 [2,0,0,0,0,0|2,0,0]=4 780 B4R0.2 COCCBr TS93982 [2,0,0,0,0,0|2,0,0]=4 781 B4R0.2 COCCCl TS03687 [2,0,0,0,0,0|2,0,0]=4 782 B4R0.2 COCCN TS71632 [2,0,0,0,0,0|2,0,0]=4 783 B4R0.2 COCCO TS71642 [2,0,0,0,0,0|1,0,0]=3 784 B4R0.2 COCC[O-] TS03754 [2,0,0,0,0,0|1,0,1]=4 785 B4R0.2 COCC[O-] TS44727 [2,0,0,0,0,0|1,0,1]=4 786 B4R0.2 COCC[O-] TS45853 [2,0,0,0,0,0|1,0,1]=4 787 B4R0.2 COCOC TS08721 [2,0,0,0,0,0|2,0,0]=4 788 B4R0.2 CSCC=C TS71811 [2,0,0,0,0,0|1,0,0]=3 789 B4R0.2 CSCCCl TS31867 [2,0,0,0,0,0|2,0,0]=4 790 B4R0.2 CSCCCl TS93571 [2,0,0,0,0,0|2,0,0]=4 791 B4R0.2 CSCCN TS03646 [2,0,0,0,0,0|2,0,0]=4 792 B4R0.2 CSCCO TS71862 [2,0,0,0,0,0|1,0,0]=3 793 B4R0.2 CSCSC TS04154 [2,0,0,0,0,0|2,0,0]=4 794 B4R0.2 [2H]OCCC TS65595 [2,0,0,0,0,0|2,0,0]=4 795 B4R0.2 [Li]CCCC TS39912 [2,0,0,0,0,0|1,0,0]=3 796 B6R0.1 C(C(=O)NCO)Cl TS64943 [1,1,0,0,0,0|2,0,0]=4 797 B6R0.1 C(C(=O)OCO)N TS05233 [1,1,0,0,0,0|2,0,0]=4 798 B6R0.1 C(CN)C(=O)CN TS13627 [1,1,0,0,0,0|2,0,0]=4 799 B6R0.1 C(CO)C(=O)CN TS37313 [1,1,0,0,0,0|1,0,1]=4 800 B6R0.1 C(CO)C(CO)O TS04081 [1,1,0,0,0,0|1,0,1]=4 801 B6R0.1 C(CO)C(CO)O TS94708 [1,1,0,0,0,0|1,0,1]=4 802 B6R0.1 C(CO)[C@@H](CO)O TS94709 [1,1,0,0,0,0|1,0,1]=4 803 B6R0.1 C(CO)[C@H](CCl)O TS36026 [1,1,0,0,0,0|1,0,1]=4 804 B6R0.1 C(CO)[C@H](CO)O TS04082 [1,1,0,0,0,0|1,0,1]=4 805 B6R0.1 CC(=CCO)C#C TS31371 [1,1,0,0,0,0|0,0,2]=4 806 B6R0.1 CC(=CCO)C#C TS31372 [1,1,0,0,0,0|0,0,2]=4 807 B6R0.1 CC(CCO)OC TS04039 [1,1,0,0,0,0|1,0,1]=4 808 B6R0.1 CC=C(C)CC=C TS03736 [1,1,0,0,0,0|0,0,2]=4 809 B6R0.1 CC=C(C)CCO TS03864 [1,1,0,0,0,0|1,0,0]=3 810 B6R0.1 CC=CC(=CC)C TS31385 [1,1,0,0,0,0|0,0,2]=4 811 B6R0.1 CC=CC(=O)OC TS56315 [1,1,0,0,0,0|1,0,1]=4 812 B6R0.1 CCC(=O)C=CC TS31436 [1,1,0,0,0,0|0,0,1]=3 813 B6R0.1 CCC(=O)CSC TS32357 [1,1,0,0,0,0|1,0,1]=4 814 B6R0.1 CCC(=O)NCC TS03904 [1,1,0,0,0,0|1,0,1]=4 815 B6R0.1 CCC(=O)OCC TS03938 [1,1,0,0,0,0|1,0,1]=4 816 B6R0.1 CCC(=O)SCC TS32362 [1,1,0,0,0,0|1,0,1]=4 817 B6R0.1 CCC(C#CC)O TS31428 [1,1,0,0,0,0|0,0,2]=4 818 B6R0.1 CCC(C)C#CC TS03735 [1,1,0,0,0,0|0,0,2]=4 819 B6R0.1 CCC(C)C=CC TS03791 [1,1,0,0,0,0|0,0,0]=2 820 B6R0.1 CCC(C)CC=C TS03804 [1,1,0,0,0,0|0,0,2]=4 821 B6R0.1 CCC(C)CC=O TS31513 [1,1,0,0,0,0|0,0,2]=4 822 B6R0.1 CCC(C)CCBr TS42853 [1,1,0,0,0,0|1,0,1]=4 823 B6R0.1 CCC(C)CCO TS31615 [1,1,0,0,0,0|0,0,1]=3 824 B6R0.1 CCC(C)SCC TS04755 [1,1,0,0,0,0|1,0,1]=4 825 B6R0.1 CCC(C=CC)O TS03868 [1,1,0,0,0,0|0,0,0]=2 826 B6R0.1 CCC(CC=C)O TS31532 [1,1,0,0,0,0|0,0,2]=4 827 B6R0.1 CCC(CCN)N TS03976 [1,1,0,0,0,0|1,0,1]=4 828 B6R0.1 CCC(COC)N TS04013 [1,1,0,0,0,0|1,0,1]=4 829 B6R0.1 CCC(COC)O TS04038 [1,1,0,0,0,0|1,0,1]=4 830 B6R0.1 CCC=C(C)C=O TS03779 [1,1,0,0,0,0|0,0,2]=4 831 B6R0.1 CCCC(=C)C=O TS31425 [1,1,0,0,0,0|0,0,1]=3 832 B6R0.1 CCCC(=C)CC TS03794 [1,1,0,0,0,0|0,0,1]=3 833 B6R0.1 CCCC(=CC)C TS31455 [1,1,0,0,0,0|0,0,0]=2 834 B6R0.1 CCCC(=O)CC TS31522 [1,1,0,0,0,0|0,0,1]=3 835 B6R0.1 CCCC(=O)NN TS31598 [1,1,0,0,0,0|2,0,0]=4 836 B6R0.1 CCCC(=O)OC TS03955 [1,1,0,0,0,0|1,0,0]=3 837 B6R0.1 CCCC(=S)OC TS32358 [1,1,0,0,0,0|1,0,0]=3 838 B6R0.1 CCCC(C)C=C TS03798 [1,1,0,0,0,0|0,0,2]=4 839 B6R0.1 CCCC(C)C=O TS01565 [1,1,0,0,0,0|0,0,2]=4 840 B6R0.1 CCCC(C)CBr TS42857 [1,1,0,0,0,0|1,0,1]=4 841 B6R0.1 CCCC(C)CC TS03886 [1,1,0,0,0,0|0,0,2]=4 842 B6R0.1 CCCC(C)CO TS39282 [1,1,0,0,0,0|0,0,1]=3 843 B6R0.1 CCCC(C)NC TS03920 [1,1,0,0,0,0|1,0,1]=4 844 B6R0.1 CCCC(C=C)O TS03859 [1,1,0,0,0,0|0,0,2]=4 845 B6R0.1 CCCC(CBr)Br TS52925 [1,1,0,0,0,0|1,0,1]=4 846 B6R0.1 CCCC(CC)Br TS42856 [1,1,0,0,0,0|0,0,2]=4 847 B6R0.1 CCCC(CC)Cl TS04841 [1,1,0,0,0,0|0,0,2]=4 848 B6R0.1 CCCC(CC)I TS44109 [1,1,0,0,0,0|0,0,2]=4 849 B6R0.1 CCCC(CC)N TS31564 [1,1,0,0,0,0|0,0,2]=4 850 B6R0.1 CCCC(CC)O TS31611 [1,1,0,0,0,0|0,0,2]=4 851 B6R0.1 CCCC(CC)S TS40939 [1,1,0,0,0,0|0,0,2]=4 852 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,1,0,0,0,0|0,0,2]=4 853 B6R0.1 CCCC(CCl)Cl TS06553 [1,1,0,0,0,0|1,0,1]=4 854 B6R0.1 CCCC(CO)O TS04026 [1,1,0,0,0,0|0,0,1]=3 855 B6R0.1 CCC[C@@H](CO)N TS04002 [1,1,0,0,0,0|0,0,1]=3 856 B6R0.1 CCC[C@@H](CO)O TS04042 [1,1,0,0,0,0|0,0,1]=3 857 B6R0.1 CCC[C@H](CO)N TS04000 [1,1,0,0,0,0|0,0,1]=3 858 B6R0.1 CCNC(=O)C=C TS03826 [1,1,0,0,0,0|1,0,1]=4 859 B6R0.1 CCNC(=O)CCl TS04876 [1,1,0,0,0,0|2,0,0]=4 860 B6R0.1 CCNC(=O)OC TS31636 [1,1,0,0,0,0|2,0,0]=4 861 B6R0.1 CCOC(=O)C=C TS33216 [1,1,0,0,0,0|1,0,1]=4 862 B6R0.1 CCOC(=O)C=O TS56148 [1,1,0,0,0,0|1,0,1]=4 863 B6R0.1 CCOC(=O)CBr TS56141 [1,1,0,0,0,0|2,0,0]=4 864 B6R0.1 CCOC(=O)CCl TS39825 [1,1,0,0,0,0|2,0,0]=4 865 B6R0.1 CCOC(=O)CF TS65215 [1,1,0,0,0,0|2,0,0]=4 866 B6R0.1 CCOC(=O)CN TS31646 [1,1,0,0,0,0|2,0,0]=4 867 B6R0.1 CCOC(=O)CN TS33221 [1,1,0,0,0,0|2,0,0]=4 868 B6R0.1 CCOC(=O)CO TS56147 [1,1,0,0,0,0|1,0,0]=3 869 B6R0.1 CCOC(=O)CS TS01466 [1,1,0,0,0,0|1,1,0]=4 870 B6R0.1 CCOC(=O)NC TS31637 [1,1,0,0,0,0|2,0,0]=4 871 B6R0.1 CCOC(=O)NO TS04067 [1,1,0,0,0,0|2,0,0]=4 872 B6R0.1 CCOC(=O)OC TS31662 [1,1,0,0,0,0|2,0,0]=4 873 B6R0.1 CC[C@H](C)CCBr TS42859 [1,1,0,0,0,0|1,0,1]=4 874 B6R0.1 CC[C@H](C)CCO TS31612 [1,1,0,0,0,0|0,0,1]=3 875 B6R0.1 CNC(=S)NCO TS04826 [1,1,0,0,0,0|2,0,0]=4 876 B6R0.1 CNCC(=O)OC TS01682 [1,1,0,0,0,0|2,0,0]=4 877 B6R0.1 CNCC(CO)O TS04078 [1,1,0,0,0,0|1,0,1]=4 878 B6R0.1 COC(=O)CCBr TS56269 [1,1,0,0,0,0|2,0,0]=4 879 B6R0.1 COC(=O)CCCl TS04939 [1,1,0,0,0,0|2,0,0]=4 880 B6R0.1 COC(=O)CCN TS08577 [1,1,0,0,0,0|2,0,0]=4 881 B6R0.1 COC(=O)CCO TS65233 [1,1,0,0,0,0|1,0,1]=4 882 B6R0.1 COC(=O)CCS TS04824 [1,1,0,0,0,0|2,0,0]=4 883 B6R0.1 COC(=O)CSC TS39398 [1,1,0,0,0,0|2,0,0]=4 884 B6R0.1 COCC(=O)OC TS39892 [1,1,0,0,0,0|2,0,0]=4 885 B6R0.1 COCC(CO)O TS04080 [1,1,0,0,0,0|1,0,1]=4 886 B6R0.1 CSCC(CO)O TS32525 [1,1,0,0,0,0|1,0,1]=4 887 B6R0.1 C[C@@H](CCO)CO TS04034 [1,1,0,0,0,0|1,0,1]=4 888 B6R0.1 C[C@H](CCO)CO TS04033 [1,1,0,0,0,0|1,0,1]=4 889 B6R0.4 B(CCCC)(O)O TS94589 [1,1,0,0,0,0|1,0,1]=4 890 B6R0.4 C(C=CC(=O)O)Br TS42842 [1,1,0,0,0,0|1,0,1]=4 891 B6R0.4 C(C=CC(=O)O)O TS31577 [1,1,0,0,0,0|1,0,1]=4 892 B6R0.4 C(CBr)C=C(F)F TS12949 [1,1,0,0,0,0|2,0,0]=4 893 B6R0.4 C(CC(=O)O)CBr TS39744 [1,1,0,0,0,0|1,0,1]=4 894 B6R0.4 C(CC(=O)O)CI TS44433 [1,1,0,0,0,0|1,0,1]=4 895 B6R0.4 C(CC(=O)O)CN TS31643 [1,1,0,0,0,0|1,0,1]=4 896 B6R0.4 CC#CCC(C)C TS31389 [1,1,0,0,0,0|0,0,2]=4 897 B6R0.4 CC(=C)CCCO TS31523 [1,1,0,0,0,0|0,0,2]=4 898 B6R0.4 CC(=CCC=C)C TS03719 [1,1,0,0,0,0|0,0,2]=4 899 B6R0.4 CC(=CCCO)C TS03867 [1,1,0,0,0,0|1,0,0]=3 900 B6R0.4 CC(=CCO[SiH3])C TS04642 [1,1,0,0,0,0|1,1,0]=4 901 B6R0.4 CC(=O)C=COC TS03850 [1,1,0,0,0,0|1,0,1]=4 902 B6R0.4 CC(=O)CCCCl TS03260 [1,1,0,0,0,0|1,0,1]=4 903 B6R0.4 CC(=O)CCCO TS39779 [1,1,0,0,0,0|0,0,2]=4 904 B6R0.4 CC(=O)CCSC TS32359 [1,1,0,0,0,0|1,0,1]=4 905 B6R0.4 CC(=O)NCCN TS31596 [1,1,0,0,0,0|2,0,0]=4 906 B6R0.4 CC(=O)NCCO TS03989 [1,1,0,0,0,0|2,0,0]=4 907 B6R0.4 CC(=O)NCCS TS04795 [1,1,0,0,0,0|2,0,0]=4 908 B6R0.4 CC(=O)OCCBr TS55164 [1,1,0,0,0,0|2,0,0]=4 909 B6R0.4 CC(=O)OCCCl TS04941 [1,1,0,0,0,0|2,0,0]=4 910 B6R0.4 CC(=O)OCCO TS31665 [1,1,0,0,0,0|2,0,0]=4 911 B6R0.4 CC(C)C=CC=C TS31391 [1,1,0,0,0,0|0,0,2]=4 912 B6R0.4 CC(C)C=CC=O TS31437 [1,1,0,0,0,0|0,0,2]=4 913 B6R0.4 CC(C)CCC=C TS03801 [1,1,0,0,0,0|0,0,2]=4 914 B6R0.4 CC(C)CCC=O TS39767 [1,1,0,0,0,0|0,0,2]=4 915 B6R0.4 CC(C)CCCBr TS42858 [1,1,0,0,0,0|1,0,1]=4 916 B6R0.4 CC(C)CCCO TS03963 [1,1,0,0,0,0|0,0,1]=3 917 B6R0.4 CC(C)CCNC TS03922 [1,1,0,0,0,0|1,0,1]=4 918 B6R0.4 CC(C)COC=C TS31530 [1,1,0,0,0,0|1,0,1]=4 919 B6R0.4 CC(C)COC=O TS03939 [1,1,0,0,0,0|1,0,1]=4 920 B6R0.4 CC(C)NCCO TS04007 [1,1,0,0,0,0|1,0,1]=4 921 B6R0.4 CC(C)OCCO TS04040 [1,1,0,0,0,0|1,0,1]=4 922 B6R0.4 CC(C)SCCO TS32430 [1,1,0,0,0,0|1,0,1]=4 923 B6R0.4 CC(CCC=C)Br TS11654 [1,1,0,0,0,0|0,0,2]=4 924 B6R0.4 CC(CCC=C)O TS31524 [1,1,0,0,0,0|0,0,2]=4 925 B6R0.4 CC(CCCBr)Br TS52922 [1,1,0,0,0,0|1,0,1]=4 926 B6R0.4 CC(CCCO)O TS04032 [1,1,0,0,0,0|0,0,1]=3 927 B6R0.4 CC=CCC(C)C TS03790 [1,1,0,0,0,0|0,0,0]=2 928 B6R0.4 CCC#CC(=C)C TS03675 [1,1,0,0,0,0|0,0,2]=4 929 B6R0.4 CCC#CC(=O)C TS31369 [1,1,0,0,0,0|0,0,2]=4 930 B6R0.4 CCC#CC(=O)O TS03759 [1,1,0,0,0,0|0,0,2]=4 931 B6R0.4 CCC#CC(C)O TS31430 [1,1,0,0,0,0|0,0,2]=4 932 B6R0.4 CCC=CC(=O)C TS31424 [1,1,0,0,0,0|0,0,1]=3 933 B6R0.4 CCC=CC(=O)O TS03448 [1,1,0,0,0,0|0,0,1]=3 934 B6R0.4 CCC=CC(=O)O TS31503 [1,1,0,0,0,0|0,0,1]=3 935 B6R0.4 CCC=CC(C)C TS03789 [1,1,0,0,0,0|1,0,0]=3 936 B6R0.4 CCCCC(=C)C TS31452 [1,1,0,0,0,0|0,0,1]=3 937 B6R0.4 CCCCC(=O)Br TS42846 [1,1,0,0,0,0|0,0,2]=4 938 B6R0.4 CCCCC(=O)C TS31529 [1,1,0,0,0,0|0,0,1]=3 939 B6R0.4 CCCCC(=O)Cl TS32451 [1,1,0,0,0,0|0,0,2]=4 940 B6R0.4 CCCCC(=O)N TS31554 [1,1,0,0,0,0|0,0,2]=4 941 B6R0.4 CCCCC(=O)O TS03958 [1,1,0,0,0,0|0,0,1]=3 942 B6R0.4 CCCCC(=O)[O-] TS04789 [1,1,0,0,0,0|0,0,2]=4 943 B6R0.4 CCCCC(=O)[O-] TS30457 [1,1,0,0,0,0|0,0,2]=4 944 B6R0.4 CCCCC(C)Br TS42855 [1,1,0,0,0,0|0,0,2]=4 945 B6R0.4 CCCCC(C)C TS03881 [1,1,0,0,0,0|0,0,2]=4 946 B6R0.4 CCCCC(C)Cl TS04843 [1,1,0,0,0,0|0,0,2]=4 947 B6R0.4 CCCCC(C)I TS44108 [1,1,0,0,0,0|0,0,2]=4 948 B6R0.4 CCCCC(C)N TS31565 [1,1,0,0,0,0|0,0,2]=4 949 B6R0.4 CCCCC(C)O TS31617 [1,1,0,0,0,0|0,0,1]=3 950 B6R0.4 CCCCN(C)C TS03927 [1,1,0,0,0,0|1,0,1]=4 951 B6R0.4 CCCC[C@@H](C)N TS03923 [1,1,0,0,0,0|0,0,2]=4 952 B6R0.4 CCCC[C@@H](C)O TS03965 [1,1,0,0,0,0|0,0,1]=3 953 B6R0.4 CCCC[C@H](C)N TS03919 [1,1,0,0,0,0|0,0,2]=4 954 B6R0.4 CCCC[C@H](C)O TS31613 [1,1,0,0,0,0|0,0,1]=3 955 B6R0.4 CCCC[Si](C)C TS04645 [1,1,0,0,0,0|0,1,1]=4 956 B6R0.4 CCCC[Sn](=O)O TS43570 [1,1,0,0,0,0|1,0,1]=4 957 B6R0.4 CCCNC(=O)N TS31594 [1,1,0,0,0,0|1,0,1]=4 958 B6R0.4 CCCNC(=O)[O-] TS31634 [1,1,0,0,0,0|1,0,1]=4 959 B6R0.4 CCCNC(C)C TS03926 [1,1,0,0,0,0|1,0,1]=4 960 B6R0.4 CCCOC(=O)C TS03949 [1,1,0,0,0,0|1,0,0]=3 961 B6R0.4 CCCOC(=O)Cl TS55808 [1,1,0,0,0,0|1,0,1]=4 962 B6R0.4 CCCSC(=O)C TS32364 [1,1,0,0,0,0|1,0,0]=3 963 B6R0.4 CCCSC(=O)Cl TS06329 [1,1,0,0,0,0|1,0,1]=4 964 B6R0.4 CCCSC(C)C TS32368 [1,1,0,0,0,0|1,0,1]=4 965 B6R0.4 CCC[SiH2]C(Cl)Cl TS41736 [1,1,0,0,0,0|1,1,0]=4 966 B6R0.4 CCNCC(=C)C TS03829 [1,1,0,0,0,0|1,0,1]=4 967 B6R0.4 CCNCC(=O)O TS01936 [1,1,0,0,0,0|1,0,1]=4 968 B6R0.4 CCOCC(=O)O TS16814 [1,1,0,0,0,0|1,0,1]=4 969 B6R0.4 CCOCC(C)C TS03959 [1,1,0,0,0,0|1,0,1]=4 970 B6R0.4 CCSCC(=O)C TS32360 [1,1,0,0,0,0|1,0,1]=4 971 B6R0.4 CCSCC(=O)O TS04822 [1,1,0,0,0,0|1,0,1]=4 972 B6R0.4 CCSCC(C)C TS04752 [1,1,0,0,0,0|1,0,1]=4 973 B6R0.4 CN(C)CCCO TS03999 [1,1,0,0,0,0|1,0,1]=4 974 B6R0.4 CNCCC(=O)O TS03990 [1,1,0,0,0,0|1,0,1]=4 975 B6R0.4 COCCC(=O)O TS31660 [1,1,0,0,0,0|1,0,1]=4 976 B6R0.4 C[C@@H](CCC=C)O TS03860 [1,1,0,0,0,0|0,0,2]=4 977 B8R0.1 C(CS)C(=O)OCCO TS40886 [0,2,0,0,0,0|1,0,1]=4 978 B8R0.1 CCCC(=O)OCC=C TS05341 [0,2,0,0,0,0|2,0,0]=4 979 B8R0.1 CCCC(=O)OCCC TS05549 [0,2,0,0,0,0|1,0,1]=4 980 B8R0.1 CCCC(=O)OCSC TS07493 [0,2,0,0,0,0|1,1,0]=4 981 B8R0.1 CCCC(C)CCCO TS36530 [0,2,0,0,0,0|0,0,2]=4 982 B8R0.1 CCCCC(=O)C=CC TS05182 [0,2,0,0,0,0|1,0,1]=4 983 B8R0.1 CCCCC(=O)CCC TS36329 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.1 CCCCC(=O)OCC TS36495 [0,2,0,0,0,0|1,0,1]=4 985 B8R0.1 CCCCC(C)CCO TS05597 [0,2,0,0,0,0|0,0,2]=4 986 B8R0.1 CCCC[C@@H](C)CCO TS36538 [0,2,0,0,0,0|0,0,2]=4 987 B8R0.1 CCCOC(=O)C=CC TS05345 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.1 CCCOC(=O)CC#N TS36217 [0,2,0,0,0,0|2,0,0]=4 989 B8R0.1 CCOC(=O)C=CCBr TS51583 [0,2,0,0,0,0|1,0,1]=4 990 B8R0.1 CCOC(=O)CCCBr TS16550 [0,2,0,0,0,0|2,0,0]=4 991 B8R0.1 CCOC(=O)CCCCl TS93676 [0,2,0,0,0,0|2,0,0]=4 992 B8R0.1 CCOC(=O)CCCN TS43285 [0,2,0,0,0,0|2,0,0]=4 993 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [0,2,0,0,0,0|2,0,0]=4 994 B8R0.1 CCOCC(=O)OCC TS05732 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.1 CN(CCCN)CCO TS36698 [0,2,0,0,0,0|1,0,1]=4 996 B8R0.4 C#CCCCCCCO TS05177 [0,2,0,0,0,0|0,0,2]=4 997 B8R0.4 C(CCCN)CCCO TS36619 [0,2,0,0,0,0|0,0,2]=4 998 B8R0.4 C(CCCO)CCCBr TS55654 [0,2,0,0,0,0|0,0,2]=4 999 B8R0.4 C(CCCO)CCCO TS36690 [0,2,0,0,0,0|0,0,2]=4 1000 B8R0.4 C(CCNCCO)CN TS36704 [0,2,0,0,0,0|0,0,2]=4 1001 B8R0.4 C(CNCCCO)CO TS02184 [0,2,0,0,0,0|0,0,2]=4 1002 B8R0.4 C(CO)CSCCCO TS09957 [0,2,0,0,0,0|0,0,2]=4 1003 B8R0.4 C(CSCSCCO)O TS44931 [0,2,0,0,0,0|1,0,1]=4 1004 B8R0.4 C=CCCCC=CCO TS05204 [0,2,0,0,0,0|0,0,0]=2 1005 B8R0.4 C=CCCCCCCO TS05382 [0,2,0,0,0,0|0,0,2]=4 1006 B8R0.4 CCC=CCCCCO TS36323 [0,2,0,0,0,0|1,0,0]=3 1007 B8R0.4 CCC=CCCOC=O TS05352 [0,2,0,0,0,0|0,0,2]=4 1008 B8R0.4 CCCC=CC=CC=O TS36011 [0,2,0,0,0,0|0,0,2]=4 1009 B8R0.4 CCCC=CC=CCO TS36154 [0,2,0,0,0,0|0,0,0]=2 1010 B8R0.4 CCCC=CCOC=O TS05336 [0,2,0,0,0,0|0,0,0]=2 1011 B8R0.4 CCCCC#CCCO TS36147 [0,2,0,0,0,0|0,0,2]=4 1012 B8R0.4 CCCCC=CC=CC TS05047 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.4 CCCCC=CCCC TS05206 [0,2,0,0,0,0|1,0,0]=3 1014 B8R0.4 CCCCC=CCCO TS36327 [0,2,0,0,0,0|0,0,0]=2 1015 B8R0.4 CCCCC=COCC TS05398 [0,2,0,0,0,0|1,0,0]=3 1016 B8R0.4 CCCCCC#CCO TS05190 [0,2,0,0,0,0|0,0,2]=4 1017 B8R0.4 CCCCCC=CC=O TS36157 [0,2,0,0,0,0|0,0,2]=4 1018 B8R0.4 CCCCCC=CCC TS36181 [0,2,0,0,0,0|1,0,0]=3 1019 B8R0.4 CCCCCC=CCO TS05393 [0,2,0,0,0,0|0,0,0]=2 1020 B8R0.4 CCCCCCC=NO TS36429 [0,2,0,0,0,0|0,0,2]=4 1021 B8R0.4 CCCCCCCCO TS36550 [0,2,0,0,0,0|0,0,2]=4 1022 B8R0.4 CCCCCCOC=O TS36508 [0,2,0,0,0,0|0,0,2]=4 1023 B8R0.4 CCCCCNCCO TS36622 [0,2,0,0,0,0|0,0,2]=4 1024 B8R0.4 CCCCCOCCO TS36691 [0,2,0,0,0,0|0,0,2]=4 1025 B8R0.4 CCOCCOCCO TS05898 [0,2,0,0,0,0|0,0,2]=4 1026 B8R0.4 CNCCCCCCO TS36615 [0,2,0,0,0,0|0,0,2]=4 1027 B8R0.4 COCCCCCOC TS36689 [0,2,0,0,0,0|0,0,2]=4 1028 B8R0.4 COCCNCCOC TS05839 [0,2,0,0,0,0|1,0,1]=4 1029 B8R0.4 COCCOCCCBr TS53805 [0,2,0,0,0,0|1,0,1]=4 1030 B8R0.4 COCCOCCCN TS05831 [0,2,0,0,0,0|1,0,1]=4 1031 B8R0.4 COCCOCCOC TS36825 [0,2,0,0,0,0|1,0,1]=4 1032 B8R0.6 C(CCO)CC(CO)O TS05901 [0,2,0,0,0,0|0,0,2]=4 1033 B8R0.6 CCC(C)CCCCO TS36535 [0,2,0,0,0,0|0,0,2]=4 1034 B8R0.6 CCCC=CC(=O)OC TS36302 [0,2,0,0,0,0|0,0,1]=3 1035 B8R0.6 CCCCCC(=O)CC TS36343 [0,2,0,0,0,0|1,0,1]=4 1036 B8R0.6 CCCCCC(=O)NO TS05662 [0,2,0,0,0,0|1,0,1]=4 1037 B8R0.6 CCCCCC(C#C)O TS05191 [0,2,0,0,0,0|0,0,2]=4 1038 B8R0.6 CCCCCC(C)CO TS36542 [0,2,0,0,0,0|0,0,2]=4 1039 B8R0.6 CCCCCC(C=C)O TS36349 [0,2,0,0,0,0|0,0,2]=4 1040 B8R0.6 CCCCCC(CC)O TS36536 [0,2,0,0,0,0|0,0,2]=4 1041 B8R0.6 CCCCCC(CO)O TS05756 [0,2,0,0,0,0|0,0,2]=4 1042 B8R0.6 CCCCC[C@@H](C#C)O TS36148 [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.6 CCCCC[C@@H](C=C)O TS36348 [0,2,0,0,0,0|0,0,2]=4 1044 B8R0.6 CCCCNC(=O)CC TS36435 [0,2,0,0,0,0|1,0,1]=4 1045 B8R0.6 CCCCNC(=O)CCl TS40802 [0,2,0,0,0,0|1,0,1]=4 1046 B8R0.6 CCCCOC(=O)CC TS05554 [0,2,0,0,0,0|1,0,1]=4 1047 B8R0.6 CCCCOC(=O)CCl TS09968 [0,2,0,0,0,0|1,0,1]=4 1048 B8R0.6 CCCCOC(=O)CF TS05889 [0,2,0,0,0,0|1,0,1]=4 1049 B8R0.6 CCCCOC(=O)CN TS12446 [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.6 CCCCOC(=O)CO TS05729 [0,2,0,0,0,0|0,0,1]=3 1051 B8R0.6 CCCCOC(=O)CS TS07490 [0,2,0,0,0,0|0,1,1]=4 1052 B8R0.6 CC[C@H](C)CCCCO TS05594 [0,2,0,0,0,0|0,0,2]=4 1053 B8R0.6 COCCOC(=O)CCl TS10245 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.7 B(C=CCCCC)(O)O TS05299 [0,2,0,0,0,0|1,0,0]=3 1055 B8R0.7 B(C=CCCCCl)(O)O TS40695 [0,2,0,0,0,0|1,0,0]=3 1056 B8R0.7 B(CCCCCC)(O)O TS32717 [0,2,0,0,0,0|0,0,2]=4 1057 B8R0.7 CC(C)NCCCCO TS93789 [0,2,0,0,0,0|0,0,2]=4 1058 B8R0.7 CCCC#CCC(C)O TS36161 [0,2,0,0,0,0|0,0,2]=4 1059 B8R0.7 CCCC=CCC(=O)O TS36290 [0,2,0,0,0,0|0,0,0]=2 1060 B8R0.7 CCCCC=CC(=O)C TS05179 [0,2,0,0,0,0|0,0,2]=4 1061 B8R0.7 CCCCC=CC(=O)Cl TS07286 [0,2,0,0,0,0|0,0,2]=4 1062 B8R0.7 CCCCC=CC(=O)O TS05335 [0,2,0,0,0,0|0,0,1]=3 1063 B8R0.7 CCCCC=CC(C)O TS05371 [0,2,0,0,0,0|0,0,0]=2 1064 B8R0.7 CCCCCCC(=O)O TS05558 [0,2,0,0,0,0|0,0,2]=4 1065 B8R0.7 CCCCCCC(C)O TS05590 [0,2,0,0,0,0|0,0,2]=4 1066 B8R0.7 CCCCCC[C@@H](C)O TS05598 [0,2,0,0,0,0|0,0,2]=4 1067 B8R0.7 CCCCCC[C@H](C)O TS46634 [0,2,0,0,0,0|0,0,2]=4 1068 B8R0.7 CCCCOCC(=O)O TS05720 [0,2,0,0,0,0|1,0,1]=4 1069 B8R0.7 CCCCOCC(C)O TS05758 [0,2,0,0,0,0|0,0,2]=4 1070 B8R0.7 CN(C)CCOCCO TS05833 [0,2,0,0,0,0|1,0,1]=4 1071 B8R0.3 CC(CCN)C(=O)CO TS36604 [0,2,0,0,0,0|1,0,1]=4 1072 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,2,0,0,0,0|2,0,0]=4 1074 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.3 CCC(C)C(=O)C=CC TS05192 [0,2,0,0,0,0|1,0,1]=4 1076 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,2,0,0,0,0|2,0,0]=4 1077 B8R0.3 CCC=C(C)C(CC)O TS36335 [0,2,0,0,0,0|1,0,0]=3 1078 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,2,0,0,0,0|1,0,1]=4 1079 B8R0.3 CCCC(C(=NO)O)N TS36674 [0,2,0,0,0,0|1,0,1]=4 1080 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,2,0,0,0,0|2,0,0]=4 1082 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,2,0,0,0,0|1,0,0]=3 1083 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,2,0,0,0,0|2,0,0]=4 1085 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,2,0,0,0,0|1,0,1]=4 1086 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,2,0,0,0,0|1,0,1]=4 1087 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,2,0,0,0,0|2,0,0]=4 1088 B8R0.8 CCCC=C(C)C(=O)O TS36301 [0,2,0,0,0,0|0,0,1]=3 1089 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,2,0,0,0,0|1,0,1]=4 1090 B8R0.8 CCCCC(C)C(C)O TS05586 [0,2,0,0,0,0|0,0,2]=4 1091 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,2,0,0,0,0|1,0,0]=3 1092 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,2,0,0,0,0|1,0,0]=3 1093 B8R0.9 CC(C)CCC(=NO)C TS36423 [0,2,0,0,0,0|1,0,1]=4 1094 B8R0.9 CC(CO)OCC(C)O TS05902 [0,2,0,0,0,0|1,0,1]=4 1095 B8R0.9 CCC(=O)CCC(C)C TS05386 [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.9 CCC(=O)OCC(C)C TS05543 [0,2,0,0,0,0|2,0,0]=4 1097 B8R0.9 CCC(C)CCC(C)O TS36529 [0,2,0,0,0,0|0,0,2]=4 1098 B8R0.11 CCCC=C(CC)C=O TS05180 [0,2,0,0,0,0|1,0,0]=3 1099 B8R0.11 CCCCC(CC)CO TS36533 [0,2,0,0,0,0|0,0,2]=4 1100 B8R0.11 CCCCC(CO)CO TS05759 [0,2,0,0,0,0|0,0,2]=4 1101 B8R0.19 CCC(C)C=C(C)CC TS36183 [0,2,0,0,0,0|1,0,0]=3 1102 B8R0.19 CCC(C)CC(=O)CC TS36340 [0,2,0,0,0,0|1,0,1]=4 1103 B8R0.19 CCC(C)NC(=O)CCl TS40798 [0,2,0,0,0,0|2,0,0]=4 1104 B8R0.25 CCC(C)(C)CCCO TS36551 [0,2,0,0,0,0|0,0,2]=4 1105 B8R0.25 CCCCC(C)(C)CO TS05589 [0,2,0,0,0,0|0,0,2]=4 1106 B8R0.5 CCCC(=CC(=O)O)C TS36312 [0,2,0,0,0,0|0,0,1]=3 1107 B8R0.5 CCCC(=O)CC(C)C TS05373 [0,2,0,0,0,0|1,0,1]=4 1108 B8R0.5 CCCC(=O)OC(C)C TS05550 [0,2,0,0,0,0|2,0,0]=4 1109 B8R0.5 CCCC(C)CC(C)O TS05587 [0,2,0,0,0,0|0,0,2]=4 1110 B8R0.5 CCOC(=O)CC(C)Br TS51949 [0,2,0,0,0,0|2,0,0]=4 1111 B8R0.5 CCOC(=O)CC(C)C TS05548 [0,2,0,0,0,0|2,0,0]=4 1112 B8R0.5 CCOC(=O)CC(C)N TS32698 [0,2,0,0,0,0|2,0,0]=4 1113 B8R0.5 CCOC(=O)CC(C)O TS36658 [0,2,0,0,0,0|1,0,1]=4 1114 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [0,2,0,0,0,0|1,0,1]=4 1115 B8R0.21 CC(C)(C)CCCCO TS36552 [0,2,0,0,0,0|0,0,2]=4 1116 B8R0.21 CC(C)(CNCCO)N TS36702 [0,2,0,0,0,0|1,0,1]=4 1117 B8R0.21 CC(CNCCO)(F)F TS37277 [0,2,0,0,0,0|1,0,1]=4 1118 B8R0.21 CCCC=CC(C)(C)C TS05223 [0,2,0,0,0,0|1,0,0]=3 1119 B8R0.21 CCCCCC(C)(C)O TS05593 [0,2,0,0,0,0|0,0,2]=4 1120 B8R0.28 CC(=O)CC=CC(=O)O TS36269 [0,2,0,0,0,0|0,0,2]=4 1121 B8R0.28 CC(C)CC=CC(=O)C TS05196 [0,2,0,0,0,0|0,0,2]=4 1122 B8R0.28 CC(C)CCCC(C)O TS36534 [0,2,0,0,0,0|0,0,2]=4 1123 B8R0.28 CC(CNCC(C)O)O TS01444 [0,2,0,0,0,0|1,0,1]=4 1124 B8R0.28 CN(C)CC=CC(=O)O TS01732 [0,2,0,0,0,0|1,0,1]=4 1125 B8R0.22 CCCC(CCO)SC TS40691 [0,2,0,0,0,0|0,0,2]=4 1126 B8R0.30 CCCC(C)(C)CCO TS05602 [0,2,0,0,0,0|0,0,2]=4 1127 B6R1.1 C1CC=CC=C1 TS49690 [1,0,0,1,0,0|0,0,2]=4 1128 B6R1.1 C1CC=COC1 TS02542 [1,0,0,1,0,0|0,0,0]=2 1129 B6R1.1 C1CCC=CC1 TS34559 [1,0,0,1,0,0|0,0,0]=2 1130 B6R1.1 C1CCCCC1 TS71717 [1,0,0,1,0,0|0,0,2]=4 1131 B6R1.1 C1CCNCC1 TS03510 [1,0,0,1,0,0|1,0,1]=4 1132 B6R1.1 C1CCNCC1 TS04882 [1,0,0,1,0,0|1,0,1]=4 1133 B6R1.1 C1CCNCC1 TS10261 [1,0,0,1,0,0|1,0,1]=4 1134 B6R1.1 C1CCNNC1 TS42014 [1,0,0,1,0,0|2,0,0]=4 1135 B6R1.1 C1CCOCC1 TS26775 [1,0,0,1,0,0|0,0,1]=3 1136 B6R1.1 C1CCOCC1 TS71756 [1,0,0,1,0,0|0,0,1]=3 1137 B6R1.1 C1CCSCC1 TS03983 [1,0,0,1,0,0|0,1,1]=4 1138 B6R1.1 C1CNC=NC1 TS71709 [1,0,0,1,0,0|2,0,0]=4 1139 B6R1.1 C1CNCC=C1 TS86919 [1,0,0,1,0,0|1,0,0]=3 1140 B6R1.1 C1COC=CO1 TS03531 [1,0,0,1,0,0|1,0,0]=3 1141 B6R1.1 C1COCCN1 TS03564 [1,0,0,1,0,0|1,0,1]=4 1142 B6R1.1 C1COCCN1 TS04991 [1,0,0,1,0,0|1,0,1]=4 1143 B6R1.1 C1COCCO1 TS27395 [1,0,0,1,0,0|1,0,1]=4 1144 B6R1.1 C1COCCO1 TS27687 [1,0,0,1,0,0|1,0,1]=4 1145 B6R1.1 C1COCCO1 TS46811 [1,0,0,1,0,0|1,0,1]=4 1146 B6R1.1 C1CSCCO1 TS31683 [1,0,0,1,0,0|1,0,1]=4 1147 B6R1.1 C1CSCSC1 TS59890 [1,0,0,1,0,0|1,1,0]=4 1148 B6R1.1 C1OCOCO1 TS03622 [1,0,0,1,0,0|2,0,0]=4 1149 B6R1.2 C1C=CC(=O)O1 TS03476 [1,0,0,1,0,0|1,0,1]=4 1150 B6R1.2 C1C=CCC1=O TS03462 [1,0,0,1,0,0|1,0,1]=4 1151 B6R1.2 C1C=CCC1N TS04803 [1,0,0,1,0,0|1,0,0]=3 1152 B6R1.2 C1C=CCC1O TS71171 [1,0,0,1,0,0|1,0,0]=3 1153 B6R1.2 C1CC(=N)SC1 TS03910 [1,0,0,1,0,0|2,0,0]=4 1154 B6R1.2 C1CC(=NC1)N TS04838 [1,0,0,1,0,0|2,0,0]=4 1155 B6R1.2 C1CC(=O)C=C1 TS00977 [1,0,0,1,0,0|0,0,2]=4 1156 B6R1.2 C1CC(=O)NC1 TS39938 [1,0,0,1,0,0|1,0,1]=4 1157 B6R1.2 C1CC(=O)NC1 TS63365 [1,0,0,1,0,0|1,0,1]=4 1158 B6R1.2 C1CC(=O)SC1 TS31607 [1,0,0,1,0,0|1,0,1]=4 1159 B6R1.2 C1CC(=S)NC1 TS03912 [1,0,0,1,0,0|1,1,0]=4 1160 B6R1.2 C1CC(C=C1)Cl TS31621 [1,0,0,1,0,0|1,0,0]=3 1161 B6R1.2 C1CC(OC1)N TS03559 [1,0,0,1,0,0|1,0,1]=4 1162 B6R1.2 C1CC=C(C1)Cl TS31619 [1,0,0,1,0,0|1,0,0]=3 1163 B6R1.2 C1CCC(=O)C1 TS03493 [1,0,0,1,0,0|0,0,2]=4 1164 B6R1.2 C1CCC(C1)Br TS55827 [1,0,0,1,0,0|1,0,1]=4 1165 B6R1.2 C1CCC(C1)Br TS68904 [1,0,0,1,0,0|1,0,1]=4 1166 B6R1.2 C1CCC(C1)Cl TS04055 [1,0,0,1,0,0|1,0,1]=4 1167 B6R1.2 C1CCC(C1)I TS18162 [1,0,0,1,0,0|1,0,1]=4 1168 B6R1.2 C1CCC(C1)N TS34563 [1,0,0,1,0,0|1,0,1]=4 1169 B6R1.2 C1CCC(C1)O TS71762 [1,0,0,1,0,0|0,0,1]=3 1170 B6R1.2 C1CCC(C1)S TS03980 [1,0,0,1,0,0|0,1,1]=4 1171 B6R1.2 C1CCC(C1)[SiH3] TS03890 [1,0,0,1,0,0|1,0,1]=4 1172 B6R1.2 C1CCC(C1)[Zn+] TS44590 [1,0,0,1,0,0|1,0,1]=4 1173 B6R1.2 C1CNCC1O TS02802 [1,0,0,1,0,0|1,0,1]=4 1174 B6R1.2 C1CNC[C@@H]1O TS87275 [1,0,0,1,0,0|1,0,1]=4 1175 B6R1.2 C1CNC[C@@H]1O TS87623 [1,0,0,1,0,0|1,0,1]=4 1176 B6R1.2 C1CNC[C@H]1O TS46618 [1,0,0,1,0,0|1,0,1]=4 1177 B6R1.2 C1CNC[C@H]1O TS46665 [1,0,0,1,0,0|1,0,1]=4 1178 B6R1.2 C1CNC[C@H]1O TS91049 [1,0,0,1,0,0|1,0,1]=4 1179 B6R1.2 C1CNC[C@H]1O TS94423 [1,0,0,1,0,0|1,0,1]=4 1180 B6R1.2 C1COCC1O TS06712 [1,0,0,1,0,0|1,0,1]=4 1181 B6R1.2 C1COCC1O TS59434 [1,0,0,1,0,0|1,0,1]=4 1182 B6R1.2 C1COCC1O TS89114 [1,0,0,1,0,0|1,0,1]=4 1183 B6R1.2 C1COC[C@@H]1O TS01967 [1,0,0,1,0,0|1,0,1]=4 1184 B6R1.2 C1COC[C@H]1O TS59862 [1,0,0,1,0,0|1,0,1]=4 1185 B6R1.2 C1CSCC1O TS31682 [1,0,0,1,0,0|1,0,1]=4 1186 B6R1.2 CC1=CCCC1 TS71683 [1,0,0,1,0,0|0,0,0]=2 1187 B6R1.2 CC1=CCCO1 TS03492 [1,0,0,1,0,0|1,0,0]=3 1188 B6R1.2 CC1=NCCC1 TS32917 [1,0,0,1,0,0|1,0,0]=3 1189 B6R1.2 CC1=NCCO1 TS71733 [1,0,0,1,0,0|2,0,0]=4 1190 B6R1.2 CC1=NCCS1 TS03913 [1,0,0,1,0,0|2,0,0]=4 1191 B6R1.2 CC1CCCC1 TS22155 [1,0,0,1,0,0|0,0,2]=4 1192 B6R1.2 CC1CCCC1 TS22325 [1,0,0,1,0,0|0,0,2]=4 1193 B6R1.2 CC1CCCC1 TS31194 [1,0,0,1,0,0|0,0,2]=4 1194 B6R1.2 CC1CCCC1 TS69413 [1,0,0,1,0,0|0,0,2]=4 1195 B6R1.2 CC1CCCC1 TS77214 [1,0,0,1,0,0|0,0,2]=4 1196 B6R1.2 CC1CCCC1 TS77590 [1,0,0,1,0,0|0,0,2]=4 1197 B6R1.2 CC1CCCN1 TS03512 [1,0,0,1,0,0|1,0,1]=4 1198 B6R1.2 CC1CCCO1 TS71748 [1,0,0,1,0,0|0,0,1]=3 1199 B6R1.2 CC1CCCS1 TS03982 [1,0,0,1,0,0|0,1,1]=4 1200 B6R1.2 CC1CCNC1 TS04878 [1,0,0,1,0,0|1,0,1]=4 1201 B6R1.2 CC1CCOC1 TS71755 [1,0,0,1,0,0|1,0,1]=4 1202 B6R1.2 CC1CCSC1 TS03984 [1,0,0,1,0,0|1,0,1]=4 1203 B6R1.2 CC1COCO1 TS03579 [1,0,0,1,0,0|1,0,0]=3 1204 B6R1.2 CC1OCCO1 TS03576 [1,0,0,1,0,0|1,0,1]=4 1205 B6R1.2 CN1CCCC1 TS85196 [1,0,0,1,0,0|1,0,1]=4 1206 B6R1.2 C[C@@H]1CCNC1 TS46531 [1,0,0,1,0,0|1,0,1]=4 1207 B6R1.2 C[C@H]1CCCN1 TS08127 [1,0,0,1,0,0|1,0,1]=4 1208 B6R1.2 C[C@H]1CCCN1 TS59864 [1,0,0,1,0,0|1,0,1]=4 1209 B6R1.2 C[C@H]1CCNC1 TS04879 [1,0,0,1,0,0|1,0,1]=4 1210 B6R1.2 Cc1ccco1 TS03463 [1,0,0,1,0,0|0,0,2]=4 1211 B6R1.2 Cc1ccno1 TS71696 [1,0,0,1,0,0|1,0,1]=4 1212 B6R1.3 C1C(O1)CCBr TS08876 [1,0,0,1,0,0|1,0,1]=4 1213 B6R1.3 C1CC1CCN TS85780 [1,0,0,1,0,0|1,0,1]=4 1214 B6R1.3 C1CC1CCO TS00981 [1,0,0,1,0,0|0,0,1]=3 1215 B6R1.3 C1[C@@H](O1)CCBr TS40969 [1,0,0,1,0,0|1,0,1]=4 1216 B6R1.3 C1[C@H](O1)CCBr TS40971 [1,0,0,1,0,0|1,0,1]=4 1217 B6R1.3 CCC[C@H]1CO1 TS71750 [1,0,0,1,0,0|0,0,1]=3 1218 B6R1.3 COC[C@@H]1CO1 TS03586 [1,0,0,1,0,0|1,0,1]=4 1219 B6R1.3 COC[C@H]1CO1 TS03578 [1,0,0,1,0,0|1,0,1]=4 1220 B6R1.3 CSCC1CO1 TS31681 [1,0,0,1,0,0|1,0,1]=4 1221 B6R1.4 C1=C[C@@H]([C@@H]1Cl)Cl TS32545 [1,0,0,1,0,0|2,0,0]=4 1222 B6R1.4 CC1C(CN1)O TS92907 [1,0,0,1,0,0|1,0,1]=4 1223 B6R1.6 C1C(CN1)CO TS91597 [1,0,0,1,0,0|1,0,1]=4 1224 B6R1.6 C1C(CO1)CO TS90138 [1,0,0,1,0,0|1,0,1]=4 1225 B6R1.6 C1CC(C1)C=O TS03489 [1,0,0,1,0,0|0,0,2]=4 1226 B6R1.6 C1CC(C1)CBr TS07532 [1,0,0,1,0,0|1,0,1]=4 1227 B6R1.6 C1CC(C1)CN TS89840 [1,0,0,1,0,0|1,0,1]=4 1228 B6R1.6 C1CC(C1)CO TS71752 [1,0,0,1,0,0|0,0,1]=3 1229 B6R1.6 C1CNC1CO TS88277 [1,0,0,1,0,0|1,0,1]=4 1230 B6R1.6 C1CN[C@H]1CO TS86313 [1,0,0,1,0,0|1,0,1]=4 1231 B6R1.6 C1COC1CBr TS40968 [1,0,0,1,0,0|1,0,1]=4 1232 B6R1.6 C1COC1CI TS91254 [1,0,0,1,0,0|1,0,1]=4 1233 B6R1.6 C1COC1CN TS86216 [1,0,0,1,0,0|1,0,1]=4 1234 B6R1.6 C1COC1CO TS88229 [1,0,0,1,0,0|1,0,1]=4 1235 B6R1.6 CCC1CCC1 TS71715 [1,0,0,1,0,0|0,0,2]=4 1236 B6R1.8 CC1CC1CO TS71767 [1,0,0,1,0,0|0,0,1]=3 1237 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [1,0,0,1,0,0|0,0,2]=4 1238 B8R1.2 C1CC(=COC1)C=O TS31909 [0,1,0,1,0,0|0,0,2]=4 1239 B8R1.2 C1CC(CC=C1)C#N TS04114 [0,1,0,1,0,0|1,0,1]=4 1240 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,1,0,1,0,0|1,0,1]=4 1241 B8R1.2 C1CC(CC=C1)CO TS31925 [0,1,0,1,0,0|1,0,0]=3 1242 B8R1.2 C1CC(CC=C1)CO TS93417 [0,1,0,1,0,0|1,0,0]=3 1243 B8R1.2 C1CC(CNC1)CO TS88392 [0,1,0,1,0,0|0,0,2]=4 1244 B8R1.2 C1CC(COC1)CO TS86137 [0,1,0,1,0,0|0,0,2]=4 1245 B8R1.2 C1CC(OC=C1)CO TS04428 [0,1,0,1,0,0|0,0,2]=4 1246 B8R1.2 C1CCC(=CC1)C#N TS04115 [0,1,0,1,0,0|1,0,1]=4 1247 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,1,0,1,0,0|0,0,2]=4 1248 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,1,0,1,0,0|1,0,0]=3 1249 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,1,0,1,0,0|1,0,1]=4 1250 B8R1.2 C1CCC(CC1)CO TS04473 [0,1,0,1,0,0|0,0,2]=4 1251 B8R1.2 C1CCC(CC1)NO TS10098 [0,1,0,1,0,0|0,0,2]=4 1252 B8R1.2 C1CCN(CC1)CO TS32161 [0,1,0,1,0,0|0,0,2]=4 1253 B8R1.2 C1CCNC(C1)CO TS02460 [0,1,0,1,0,0|0,0,2]=4 1254 B8R1.2 C1CCOC(C1)CCl TS05953 [0,1,0,1,0,0|0,0,2]=4 1255 B8R1.2 C1CCOC(C1)CN TS59436 [0,1,0,1,0,0|0,0,2]=4 1256 B8R1.2 C1CCOC(C1)CN TS59437 [0,1,0,1,0,0|0,0,2]=4 1257 B8R1.2 C1CCOC(C1)CO TS59577 [0,1,0,1,0,0|0,0,2]=4 1258 B8R1.2 C1CCOC(C1)ON TS59328 [0,1,0,1,0,0|1,0,1]=4 1259 B8R1.2 C1CN(CCN1)CO TS04601 [0,1,0,1,0,0|1,0,1]=4 1260 B8R1.2 C1CNCCC1CO TS85529 [0,1,0,1,0,0|0,0,2]=4 1261 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [0,1,0,1,0,0|1,0,1]=4 1262 B8R1.2 C1COC(CN1)CN TS86947 [0,1,0,1,0,0|1,0,1]=4 1263 B8R1.2 C1COC(CN1)CO TS55399 [0,1,0,1,0,0|1,0,1]=4 1264 B8R1.2 C1COC(CO1)CI TS52574 [0,1,0,1,0,0|1,0,1]=4 1265 B8R1.2 C1COC(CO1)CN TS08685 [0,1,0,1,0,0|1,0,1]=4 1266 B8R1.2 C1COCC(=C1)C=O TS31902 [0,1,0,1,0,0|0,0,2]=4 1267 B8R1.2 C1COCC(N1)CO TS02790 [0,1,0,1,0,0|1,0,1]=4 1268 B8R1.2 C1COCC(N1)CO TS41317 [0,1,0,1,0,0|1,0,1]=4 1269 B8R1.2 C1COCCC1CO TS59440 [0,1,0,1,0,0|0,0,2]=4 1270 B8R1.2 C1COC[C@@H](N1)CO TS41310 [0,1,0,1,0,0|1,0,1]=4 1271 B8R1.2 C1COC[C@H](N1)CO TS32280 [0,1,0,1,0,0|1,0,1]=4 1272 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [0,1,0,1,0,0|1,0,1]=4 1273 B8R1.2 C1CO[C@H](CN1)CO TS46590 [0,1,0,1,0,0|1,0,1]=4 1274 B8R1.2 C1CSCCC1CO TS90016 [0,1,0,1,0,0|0,0,2]=4 1275 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,1,0,1,0,0|0,0,2]=4 1276 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,1,0,1,0,0|0,0,2]=4 1277 B8R1.2 CCC1=CCC=CC1 TS04142 [0,1,0,1,0,0|1,0,0]=3 1278 B8R1.2 CCC1=CCCCC1 TS31842 [0,1,0,1,0,0|1,0,0]=3 1279 B8R1.2 CNC1CCC=CO1 TS32011 [0,1,0,1,0,0|0,0,2]=4 1280 B8R1.2 COC1=CCCCC1 TS04308 [0,1,0,1,0,0|0,0,2]=4 1281 B8R1.2 COC1=CCOCC1 TS04435 [0,1,0,1,0,0|2,0,0]=4 1282 B8R1.2 COC1CCC=CO1 TS04445 [0,1,0,1,0,0|0,0,2]=4 1283 B8R1.2 COC1CCCC=C1 TS31935 [0,1,0,1,0,0|0,0,0]=2 1284 B8R1.2 COC1CCCCC1 TS32092 [0,1,0,1,0,0|0,0,2]=4 1285 B8R1.2 COC1CCCNC1 TS86602 [0,1,0,1,0,0|1,0,1]=4 1286 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,1,0,1,0,0|1,0,1]=4 1287 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,1,0,1,0,0|1,0,1]=4 1288 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,1,0,1,0,0|1,0,1]=4 1289 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,1,0,1,0,0|1,0,1]=4 1290 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,1,0,1,0,0|2,0,0]=4 1291 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,1,0,1,0,0|1,0,0]=3 1292 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,1,0,1,0,0|1,0,1]=4 1293 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,1,0,1,0,0|1,0,1]=4 1294 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,1,0,1,0,0|0,0,1]=3 1295 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,1,0,1,0,0|0,0,2]=4 1296 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,1,0,1,0,0|0,0,2]=4 1297 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,1,0,1,0,0|0,0,2]=4 1298 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,1,0,1,0,0|0,0,2]=4 1299 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,1,0,1,0,0|0,0,2]=4 1300 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,1,0,1,0,0|0,0,2]=4 1301 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,1,0,1,0,0|0,0,2]=4 1302 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,1,0,1,0,0|0,0,2]=4 1303 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,1,0,1,0,0|0,0,2]=4 1304 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,1,0,1,0,0|0,0,2]=4 1305 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,1,0,1,0,0|0,0,2]=4 1306 B8R1.5 C1CNC[C@H]([C@@H]1F)O TS90614 [0,1,0,1,0,0|1,0,1]=4 1307 B8R1.5 C1COC[C@H]([C@@H]1N)O TS89107 [0,1,0,1,0,0|1,0,1]=4 1308 B8R1.5 C1COC[C@H]([C@H]1N)O TS90200 [0,1,0,1,0,0|1,0,1]=4 1309 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,1,0,1,0,0|2,0,0]=4 1310 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,1,0,1,0,0|2,0,0]=4 1311 B8R1.5 CC1=CCCCC1=O TS31839 [0,1,0,1,0,0|0,0,2]=4 1312 B8R1.5 CC1CCCC=C1C TS31849 [0,1,0,1,0,0|1,0,0]=3 1313 B8R1.5 CC1CCCCC1=C TS31851 [0,1,0,1,0,0|1,0,1]=4 1314 B8R1.5 CC1CCCCC1=O TS01136 [0,1,0,1,0,0|1,0,1]=4 1315 B8R1.5 CC1CCCCC1O TS32109 [0,1,0,1,0,0|0,0,2]=4 1316 B8R1.5 CC1CCNCC1O TS92278 [0,1,0,1,0,0|0,0,2]=4 1317 B8R1.5 CC1CNCCC1O TS03118 [0,1,0,1,0,0|0,0,2]=4 1318 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,1,0,1,0,0|0,0,2]=4 1319 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [0,1,0,1,0,0|0,0,2]=4 1320 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [0,1,0,1,0,0|0,0,2]=4 1321 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [0,1,0,1,0,0|0,0,2]=4 1322 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,1,0,1,0,0|0,0,2]=4 1323 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [0,1,0,1,0,0|0,0,2]=4 1324 B8R1.8 C1CC(NC1)CCO TS91871 [0,1,0,1,0,0|0,0,2]=4 1325 B8R1.8 C1CCC(C1)CCO TS04478 [0,1,0,1,0,0|0,0,2]=4 1326 B8R1.8 C1CCN(C1)CCO TS32173 [0,1,0,1,0,0|0,0,2]=4 1327 B8R1.8 C1CNCC1CCO TS88089 [0,1,0,1,0,0|0,0,2]=4 1328 B8R1.8 C1COC(O1)CCBr TS47043 [0,1,0,1,0,0|1,0,1]=4 1329 B8R1.8 C1COC(O1)CCCl TS06134 [0,1,0,1,0,0|1,0,1]=4 1330 B8R1.8 C1COC(O1)CCN TS39612 [0,1,0,1,0,0|1,0,1]=4 1331 B8R1.8 C1COCN1CCO TS04674 [0,1,0,1,0,0|1,0,1]=4 1332 B8R1.8 CCCC1=NCCN1 TS04325 [0,1,0,1,0,0|1,0,1]=4 1333 B8R1.8 CCCc1[nH]ccn1 TS02464 [0,1,0,1,0,0|1,0,1]=4 1334 B8R1.8 CCCc1ccco1 TS31836 [0,1,0,1,0,0|0,0,1]=3 1335 B8R1.8 CCCc1cccs1 TS36171 [0,1,0,1,0,0|0,1,1]=4 1336 B8R1.8 CCCc1ccsc1 TS36172 [0,1,0,1,0,0|0,1,1]=4 1337 B8R1.8 CCCn1ccnc1 TS04208 [0,1,0,1,0,0|2,0,0]=4 1338 B8R1.8 CCOC1CCCO1 TS04591 [0,1,0,1,0,0|0,0,2]=4 1339 B8R1.8 CNCC1CCCO1 TS32151 [0,1,0,1,0,0|0,0,2]=4 1340 B8R1.8 CNCc1ccco1 TS04251 [0,1,0,1,0,0|0,0,2]=4 1341 B8R1.8 CNCc1ccco1 TS07391 [0,1,0,1,0,0|0,0,2]=4 1342 B8R1.8 CNCc1ccno1 TS04292 [0,1,0,1,0,0|1,0,1]=4 1343 B8R1.8 CNCc1ccon1 TS04289 [0,1,0,1,0,0|1,0,1]=4 1344 B8R1.8 COCC1CCCN1 TS32164 [0,1,0,1,0,0|1,0,1]=4 1345 B8R1.8 COCC1CCCO1 TS04584 [0,1,0,1,0,0|0,0,2]=4 1346 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,1,0,1,0,0|1,0,1]=4 1347 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,1,0,1,0,0|1,0,1]=4 1348 B8R1.8 COCc1ccco1 TS31900 [0,1,0,1,0,0|0,0,2]=4 1349 B8R1.8 CSCc1ccco1 TS05367 [0,1,0,1,0,0|0,0,2]=4 1350 B8R1.8 c1c(con1)CCO TS04371 [0,1,0,1,0,0|2,0,0]=4 1351 B8R1.8 c1cc(oc1)CCO TS31915 [0,1,0,1,0,0|0,0,2]=4 1352 B8R1.8 c1coc(n1)CCN TS00111 [0,1,0,1,0,0|1,0,1]=4 1353 B8R1.10 CCCNC1COC1 TS32160 [0,1,0,1,0,0|1,0,1]=4 1354 B8R1.11 C1CC(=C(C1)N)C#N TS31772 [0,1,0,1,0,0|1,0,1]=4 1355 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [0,1,0,1,0,0|0,0,1]=3 1356 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,1,0,1,0,0|1,0,0]=3 1357 B8R1.11 C1CO[C@@H]([C@H]1O)CO TS32319 [0,1,0,1,0,0|1,0,1]=4 1358 B8R1.11 CCC1=C(CCC1)C TS04224 [0,1,0,1,0,0|1,0,0]=3 1359 B8R1.11 CCC1CCCC1=O TS31928 [0,1,0,1,0,0|1,0,1]=4 1360 B8R1.11 CCN1CCCC1=O TS32015 [0,1,0,1,0,0|2,0,0]=4 1361 B8R1.11 CN1CCCC1CO TS46985 [0,1,0,1,0,0|0,0,2]=4 1362 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,1,0,1,0,0|0,0,2]=4 1363 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,1,0,1,0,0|0,0,2]=4 1364 B8R1.11 CO[C@@H]1CNC[C@H]1O TS88618 [0,1,0,1,0,0|1,0,1]=4 1365 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [0,1,0,1,0,0|0,0,2]=4 1366 B8R1.11 Cc1c([nH]cn1)CO TS04296 [0,1,0,1,0,0|1,0,1]=4 1367 B8R1.11 Cc1c(nc[nH]1)CO TS04291 [0,1,0,1,0,0|1,0,1]=4 1368 B8R1.11 Cc1c(ocn1)CO TS03174 [0,1,0,1,0,0|1,0,1]=4 1369 B8R1.11 Cn1c(ccn1)CO TS86654 [0,1,0,1,0,0|1,0,1]=4 1370 B8R1.11 Cn1c(ncn1)CO TS07996 [0,1,0,1,0,0|2,0,0]=4 1371 B8R1.11 Cn1ccnc1CO TS00467 [0,1,0,1,0,0|1,0,1]=4 1372 B8R1.11 Cn1cncc1CO TS04284 [0,1,0,1,0,0|1,0,1]=4 1373 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,1,0,1,0,0|1,0,1]=4 1374 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,1,0,1,0,0|1,0,1]=4 1375 B8R1.22 C1CC(CCNC1)O TS01362 [0,1,0,1,0,0|0,0,2]=4 1376 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,1,0,1,0,0|0,0,2]=4 1377 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,1,0,1,0,0|2,0,0]=4 1378 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,1,0,1,0,0|2,0,0]=4 1379 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,1,0,1,0,0|2,0,0]=4 1380 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,1,0,1,0,0|2,0,0]=4 1381 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,1,0,1,0,0|1,0,1]=4 1382 B8R1.22 C1CCCC(CC1)O TS04470 [0,1,0,1,0,0|0,0,2]=4 1383 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,1,0,1,0,0|2,0,0]=4 1384 B8R1.22 C1COCC(=O)CO1 TS32190 [0,1,0,1,0,0|1,0,1]=4 1385 B8R1.22 C1COCCNC1=O TS04534 [0,1,0,1,0,0|1,0,1]=4 1386 B8R1.22 CC1=CCCCCC1 TS04216 [0,1,0,1,0,0|1,0,0]=3 1387 B8R1.22 CC1OCCCCO1 TS32214 [0,1,0,1,0,0|0,0,2]=4 1388 B8R1.36 C1C(O1)CCCCBr TS33001 [0,1,0,1,0,0|0,0,2]=4 1389 B8R1.36 CCCCCC1CO1 TS04480 [0,1,0,1,0,0|0,0,2]=4 1390 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [0,1,0,1,0,0|0,0,2]=4 1391 B8R1.36 CCCOCC1CO1 TS32209 [0,1,0,1,0,0|0,0,2]=4 1392 B8R1.49 C1CC=CCCC=C1 TS01896 [0,1,0,1,0,0|1,0,1]=4 1393 B8R1.49 C1CC=CCCC=C1 TS34179 [0,1,0,1,0,0|1,0,1]=4 1394 B8R1.49 C1CC=CCCC=C1 TS54864 [0,1,0,1,0,0|1,0,1]=4 1395 B8R1.49 C1CC=CCCC=C1 TS63838 [0,1,0,1,0,0|1,0,1]=4 1396 B8R1.49 C1CC=CCCC=C1 TS72200 [0,1,0,1,0,0|1,0,1]=4 1397 B8R1.49 C1CC=CCCC=C1 TS80341 [0,1,0,1,0,0|1,0,1]=4 1398 B8R1.49 C1CC=CCCC=C1 TS81264 [0,1,0,1,0,0|1,0,1]=4 1399 B8R1.49 C1CC=CCCC=C1 TS83164 [0,1,0,1,0,0|1,0,1]=4 1400 B8R1.49 C1COCOCCO1 TS04709 [0,1,0,1,0,0|1,0,1]=4 1401 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [0,1,0,1,0,0|1,0,1]=4 1402 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [0,1,0,1,0,0|1,0,1]=4 1403 B8R1.1 C1[C@@H](C=C[C@@H]1N)CO TS32012 [0,1,0,1,0,0|0,0,2]=4 1404 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,1,0,1,0,0|1,0,1]=4 1405 B8R1.1 CCC1=NC(CN1)C TS04327 [0,1,0,1,0,0|2,0,0]=4 1406 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,1,0,1,0,0|1,0,1]=4 1407 B8R1.1 CCC1CCC(=O)O1 TS04438 [0,1,0,1,0,0|2,0,0]=4 1408 B8R1.1 Cc1ccc(o1)CO TS39784 [0,1,0,1,0,0|0,0,2]=4 1409 B8R1.1 Cn1cc(cn1)CO TS32833 [0,1,0,1,0,0|2,0,0]=4 1410 B8R1.1 Cn1ccc(n1)CO TS88082 [0,1,0,1,0,0|1,0,1]=4 1411 B8R1.3 C1CC(CCC1N)O TS02991 [0,1,0,1,0,0|0,0,2]=4 1412 B8R1.3 C1CC(CCC1N)O TS93903 [0,1,0,1,0,0|0,0,2]=4 1413 B8R1.3 C1CC(CCC1O)Cl TS05955 [0,1,0,1,0,0|0,0,2]=4 1414 B8R1.3 C1CC(CCC1O)O TS32227 [0,1,0,1,0,0|0,0,2]=4 1415 B8R1.3 C1C[C@@H](C=C[C@H]1O)O TS32069 [0,1,0,1,0,0|0,0,0]=2 1416 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N TS93779 [0,1,0,1,0,0|0,0,2]=4 1417 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O TS89848 [0,1,0,1,0,0|0,0,2]=4 1418 B8R1.3 C1[C@@H](CC[C@H](C1)O)O TS32222 [0,1,0,1,0,0|0,0,2]=4 1419 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,1,0,1,0,0|1,0,1]=4 1420 B8R1.3 CC1CCC(CC1)O TS32101 [0,1,0,1,0,0|0,0,2]=4 1421 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [0,1,0,1,0,0|0,0,2]=4 1422 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [0,1,0,1,0,0|0,0,2]=4 1423 B8R1.40 C1CC1NC(=NO)N TS04538 [0,1,0,1,0,0|2,0,0]=4 1424 B8R1.40 C1CC1NC(=O)CCl TS36794 [0,1,0,1,0,0|2,0,0]=4 1425 B8R1.40 C1CC1NC(=O)CN TS09977 [0,1,0,1,0,0|2,0,0]=4 1426 B8R1.40 C1CC1NC(=O)CN TS32079 [0,1,0,1,0,0|2,0,0]=4 1427 B8R1.41 CCC=CC1(CC1)N TS31891 [0,1,0,1,0,0|1,0,0]=3 1428 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [0,1,0,1,0,0|2,0,0]=4 1429 B8R1.50 CC1CCC(C1O)O TS04585 [0,1,0,1,0,0|0,0,2]=4 1430 B8R1.52 CCC1(OCCO1)C TS04593 [0,1,0,1,0,0|1,0,1]=4 1431 B8R1.52 C[C@@]1(CCCN1)CO TS92383 [0,1,0,1,0,0|1,0,1]=4 1432 B8R1.52 C[C@]1(CCCN1)CO TS91971 [0,1,0,1,0,0|1,0,1]=4 1433 B8R1.4 C1CC(=CC(=O)C1)Br TS13615 [0,1,0,1,0,0|0,0,2]=4 1434 B8R1.4 C1CC(=CC(=O)C1)N TS39297 [0,1,0,1,0,0|0,0,2]=4 1435 B8R1.4 C1CC(CC(C1)O)N TS65882 [0,1,0,1,0,0|0,0,2]=4 1436 B8R1.4 C1CC(CC(C1)O)O TS32206 [0,1,0,1,0,0|0,0,2]=4 1437 B8R1.4 C1CNC(=O)CC1O TS03134 [0,1,0,1,0,0|1,0,1]=4 1438 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [0,1,0,1,0,0|1,0,1]=4 1439 B8R1.4 CC1=CC(=O)CCC1 TS04198 [0,1,0,1,0,0|0,0,2]=4 1440 B8R1.4 CC1=CC(CCC1)O TS31949 [0,1,0,1,0,0|0,0,0]=2 1441 B8R1.4 CC1=CCC=C(C1)C TS04144 [0,1,0,1,0,0|1,0,1]=4 1442 B8R1.4 CC1CC(=O)CCN1 TS59976 [0,1,0,1,0,0|1,0,1]=4 1443 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,1,0,1,0,0|0,0,1]=3 1444 B8R1.4 CC1CC(CCO1)O TS88683 [0,1,0,1,0,0|0,0,2]=4 1445 B8R1.4 CC1CCCC(=C1)C TS48310 [0,1,0,1,0,0|1,0,0]=3 1446 B8R1.4 CC1CCCC(=O)O1 TS04447 [0,1,0,1,0,0|2,0,0]=4 1447 B8R1.4 CC1CCNC(=N)C1 TS45483 [0,1,0,1,0,0|2,0,0]=4 1448 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,1,0,1,0,0|2,0,0]=4 1449 B8R1.4 CC1CCOC(O1)C TS32215 [0,1,0,1,0,0|1,0,1]=4 1450 B8R1.4 CC1CNCC(O1)C TS32156 [0,1,0,1,0,0|1,0,1]=4 1451 B8R1.4 CN1CCC=C(C1)Br TS21402 [0,1,0,1,0,0|2,0,0]=4 1452 B8R1.4 CN1CCCC(C1)O TS32155 [0,1,0,1,0,0|1,0,1]=4 1453 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [0,1,0,1,0,0|1,0,1]=4 1454 B8R1.4 CN1CCC[C@H](C1)O TS90931 [0,1,0,1,0,0|1,0,1]=4 1455 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,1,0,1,0,0|0,0,1]=3 1456 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,1,0,1,0,0|1,0,1]=4 1457 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [0,1,0,1,0,0|2,0,0]=4 1458 B8R1.4 C[C@@H]1CNC[C@@H](O1)C TS90636 [0,1,0,1,0,0|1,0,1]=4 1459 B8R1.4 C[C@@H]1CNC[C@H](O1)C TS88923 [0,1,0,1,0,0|1,0,1]=4 1460 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,1,0,1,0,0|0,0,1]=3 1461 B8R1.7 B(C1=CCCC1)(O)O TS94582 [0,1,0,1,0,0|1,0,0]=3 1462 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [0,1,0,1,0,0|1,0,1]=4 1463 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,1,0,1,0,0|0,0,1]=3 1464 B8R1.7 C1COC=C1C(=O)O TS32035 [0,1,0,1,0,0|1,0,1]=4 1465 B8R1.7 CC(=O)C1=CCCC1 TS31835 [0,1,0,1,0,0|0,0,2]=4 1466 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,1,0,1,0,0|1,0,0]=3 1467 B8R1.7 CC(C)C1C=CC=C1 TS31786 [0,1,0,1,0,0|1,0,1]=4 1468 B8R1.7 CC(C1=NCCN1)O TS32075 [0,1,0,1,0,0|2,0,0]=4 1469 B8R1.7 CC(C1CCCC1)O TS04475 [0,1,0,1,0,0|0,0,2]=4 1470 B8R1.7 CC(c1ccco1)N TS04253 [0,1,0,1,0,0|0,0,2]=4 1471 B8R1.7 CC(c1ccco1)O TS31898 [0,1,0,1,0,0|0,0,2]=4 1472 B8R1.7 C[C@H](c1ccco1)O TS31904 [0,1,0,1,0,0|0,0,2]=4 1473 B8R1.19 CC1CCCC1(C)O TS32102 [0,1,0,1,0,0|0,0,2]=4 1474 B8R1.72 CC1(CCC=CC1)C TS04217 [0,1,0,1,0,0|1,0,0]=3 1475 B8R1.72 CC1(CCCCC1)O TS32093 [0,1,0,1,0,0|0,0,2]=4 1476 B8R1.72 CC1(CCCNC1)O TS91215 [0,1,0,1,0,0|1,0,1]=4 1477 B8R1.18 CC1CC(=O)CC1C TS31939 [0,1,0,1,0,0|1,0,1]=4 1478 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [0,1,0,1,0,0|1,0,1]=4 1479 B8R1.37 CCOC(=O)C1CC1 TS32071 [0,1,0,1,0,0|2,0,0]=4 1480 B8R1.37 CCOC(=O)C1CO1 TS01910 [0,1,0,1,0,0|1,0,1]=4 1481 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [0,1,0,1,0,0|1,0,1]=4 1482 B8R2.34 C1C2CNC1CO2 TS92201 [0,0,0,2,0,0|1,0,1]=4 1483 B8R2.34 C1CC2CC1C=C2 TS03681 [0,0,0,2,0,0|1,0,0]=3 1484 B8R2.34 C1CC2CCC1O2 TS31431 [0,0,0,2,0,0|0,0,2]=4 1485 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS87907 [0,0,0,2,0,0|1,0,1]=4 1486 B8R2.34 C1[C@@H]2CN[C@H]1CO2 TS91801 [0,0,0,2,0,0|1,0,1]=4 1487 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS85934 [0,0,0,2,0,0|1,0,1]=4 1488 B8R2.34 C1[C@H]2CN[C@@H]1CO2 TS86231 [0,0,0,2,0,0|1,0,1]=4 1489 B8R2.23 C1C2CNCC1O2 TS92433 [0,0,0,2,0,0|1,0,1]=4 1490 B8R2.25 C1CCC2C(C1)O2 TS34560 [0,0,0,2,0,0|0,0,2]=4