0 B5R0.2 C#CCCC#C TS03439 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.2 C#CCCC#N TS71657 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C#CCCCCl TS60430 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.2 C#CCCCO TS71278 [0,0,0,0,0,0|1,0,3]=4 4 B5R0.2 C(=O)NNC=O TS03566 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.2 C(C#N)OC=O TS71729 [0,0,0,0,0,0|3,0,0]=3 6 B5R0.2 C(C=CCl)ON TS94269 [0,0,0,0,0,0|2,1,1]=4 7 B5R0.2 C(CBr)N=C=O TS40811 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 C(CC#N)C#N TS71666 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.2 C(CC#N)C=O TS71698 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 C(CC#N)CCl TS33156 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.2 C(CC#N)CI TS17989 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.2 C(CC#N)C[Zn+] TS21545 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.2 C(CC=O)C=O TS03527 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 C(CC=O)C=O TS58456 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 C(CCBr)CBr TS07886 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 C(CCBr)CCl TS45376 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 C(CCBr)CF TS10539 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.2 C(CCBr)CO TS39737 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.2 C(CCCl)CCl TS36204 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.2 C(CCCl)CO TS33155 [0,0,0,0,0,0|2,0,2]=4 21 B5R0.2 C(CCF)CF TS03666 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.2 C(CCF)CO TS03655 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.2 C(CCI)CCl TS49510 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.2 C(CCI)CI TS76368 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.2 C(CCO)CN TS03609 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.2 C(CCO)CO TS00383 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.2 C(CCS)CO TS04107 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.2 C(CCS)CS TS04933 [0,0,0,0,0,0|2,1,1]=4 29 B5R0.2 C(CC[Zn+])CCl TS25983 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.2 C(CCl)N=C=O TS31715 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.2 C(CNN)C#N TS03509 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.2 C(CON)CS TS93047 [0,0,0,0,0,0|1,2,1]=4 33 B5R0.2 C=CCCC#N TS03446 [0,0,0,0,0,0|3,0,0]=3 34 B5R0.2 C=CCCC=C TS39876 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.2 C=CCCC=O TS03486 [0,0,0,0,0,0|1,0,1]=2 36 B5R0.2 C=CCCCBr TS71399 [0,0,0,0,0,0|3,0,0]=3 37 B5R0.2 C=CCCCCl TS04057 [0,0,0,0,0,0|3,0,0]=3 38 B5R0.2 C=CCCCN TS03513 [0,0,0,0,0,0|3,0,0]=3 39 B5R0.2 C=CCCCN TS04880 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.2 C=CCCCO TS33172 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.2 C=CCCC[Zn+] TS44589 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.2 C=CCC[Mg]Br TS42097 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.2 C=CCN=C=S TS03827 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.2 C=CCNC=O TS03504 [0,0,0,0,0,0|2,0,1]=3 45 B5R0.2 C=CCOC=C TS03491 [0,0,0,0,0,0|3,0,1]=4 46 B5R0.2 C=CCOC=O TS71740 [0,0,0,0,0,0|2,0,1]=3 47 B5R0.2 C=COCCO TS03575 [0,0,0,0,0,0|4,0,0]=4 48 B5R0.2 CC#CCC#C TS03435 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.2 CC#CCC=C TS71671 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.2 CC=CC=CC TS71681 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.2 CC=CC=CC TS71684 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.2 CC=CCCO TS71749 [0,0,0,0,0,0|1,0,3]=4 53 B5R0.2 CC=CC[Mg]Cl TS32134 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.2 CCC#CC=C TS71669 [0,0,0,0,0,0|2,0,2]=4 55 B5R0.2 CCC=CC=C TS03467 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.2 CCC=CC=O TS03498 [0,0,0,0,0,0|1,0,2]=3 57 B5R0.2 CCCC#CC TS71682 [0,0,0,0,0,0|2,0,2]=4 58 B5R0.2 CCCC#CI TS51737 [0,0,0,0,0,0|2,0,2]=4 59 B5R0.2 CCCC=NO TS03560 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.2 CCCCC#C TS71687 [0,0,0,0,0,0|2,0,1]=3 61 B5R0.2 CCCCC#N TS71704 [0,0,0,0,0,0|2,0,1]=3 62 B5R0.2 CCCCC=C TS71713 [0,0,0,0,0,0|2,0,0]=2 63 B5R0.2 CCCCC=O TS71764 [0,0,0,0,0,0|1,0,0]=1 64 B5R0.2 CCCCCBr TS00039 [0,0,0,0,0,0|2,0,1]=3 65 B5R0.2 CCCCCCl TS31742 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.2 CCCCCF TS71848 [0,0,0,0,0,0|2,0,1]=3 67 B5R0.2 CCCCCI TS18547 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.2 CCCCCN TS71782 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.2 CCCCCO TS46186 [0,0,0,0,0,0|1,0,2]=3 70 B5R0.2 CCCCCO TS71798 [0,0,0,0,0,0|1,0,2]=3 71 B5R0.2 CCCCCS TS31699 [0,0,0,0,0,0|1,1,1]=3 72 B5R0.2 CCCCC[Si] TS03986 [0,0,0,0,0,0|2,0,1]=3 73 B5R0.2 CCCCC[Zn+] TS49168 [0,0,0,0,0,0|2,0,1]=3 74 B5R0.2 CCCCNC TS71774 [0,0,0,0,0,0|2,0,1]=3 75 B5R0.2 CCCCNN TS14187 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.2 CCCCNN TS36035 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.2 CCCCON TS36085 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.2 CCCCON TS93805 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.2 CCCCSC TS31691 [0,0,0,0,0,0|1,0,1]=2 80 B5R0.2 CCCC[Mg]Br TS11455 [0,0,0,0,0,0|3,0,0]=3 81 B5R0.2 CCCC[Mg]Cl TS32260 [0,0,0,0,0,0|3,0,0]=3 82 B5R0.2 CCCC[N+]#[C-] TS71702 [0,0,0,0,0,0|3,0,0]=3 83 B5R0.2 CCCC[Sn]=O TS17583 [0,0,0,0,0,0|2,0,0]=2 84 B5R0.2 CCCN=C=O TS03505 [0,0,0,0,0,0|2,0,1]=3 85 B5R0.2 CCCN=C=S TS03915 [0,0,0,0,0,0|2,1,1]=4 86 B5R0.2 CCCNCC TS71783 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.2 CCCOC=C TS29507 [0,0,0,0,0,0|3,0,0]=3 88 B5R0.2 CCCOC=O TS03584 [0,0,0,0,0,0|2,0,0]=2 89 B5R0.2 CCCOCC TS71799 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.2 CCCOCCl TS04165 [0,0,0,0,0,0|3,0,1]=4 91 B5R0.2 CCCON=O TS71824 [0,0,0,0,0,0|3,0,0]=3 92 B5R0.2 CCCSC#N TS03911 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.2 CCCSCC TS31700 [0,0,0,0,0,0|3,0,1]=4 94 B5R0.2 CCCSSC TS04934 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.2 CCNCCN TS71809 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.2 CCNCCO TS00085 [0,0,0,0,0,0|2,0,2]=4 97 B5R0.2 CCOC=CBr TS40963 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.2 CCOC=CC TS71751 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.2 CCOCC=C TS71744 [0,0,0,0,0,0|3,0,0]=3 100 B5R0.2 CCOCCBr TS10269 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.2 CCOCCCl TS04162 [0,0,0,0,0,0|3,0,1]=4 102 B5R0.2 CCOCCO TS71837 [0,0,0,0,0,0|2,0,2]=4 103 B5R0.2 CCSCC=C TS03981 [0,0,0,0,0,0|3,0,0]=3 104 B5R0.2 CCSCCBr TS44968 [0,0,0,0,0,0|3,0,1]=4 105 B5R0.2 CCSCCCl TS36036 [0,0,0,0,0,0|3,0,1]=4 106 B5R0.2 CCSCCN TS31712 [0,0,0,0,0,0|3,0,1]=4 107 B5R0.2 CCSCCN TS37539 [0,0,0,0,0,0|3,0,1]=4 108 B5R0.2 CCSCCO TS59769 [0,0,0,0,0,0|2,0,2]=4 109 B5R0.2 CNCCC#N TS03502 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.2 CNCCCCl TS40140 [0,0,0,0,0,0|2,0,1]=3 111 B5R0.2 CNCCCN TS71808 [0,0,0,0,0,0|2,0,1]=3 112 B5R0.2 CNCCNC TS56355 [0,0,0,0,0,0|3,0,0]=3 113 B5R0.2 CNCCOC TS03607 [0,0,0,0,0,0|2,1,0]=3 114 B5R0.2 COC=CC=O TS71739 [0,0,0,0,0,0|0,1,2]=3 115 B5R0.2 COCCC#N TS46471 [0,0,0,0,0,0|1,1,1]=3 116 B5R0.2 COCCCBr TS10272 [0,0,0,0,0,0|1,1,1]=3 117 B5R0.2 COCCCCl TS04163 [0,0,0,0,0,0|1,1,1]=3 118 B5R0.2 COCCCN TS03603 [0,0,0,0,0,0|1,1,1]=3 119 B5R0.2 COCCCO TS70643 [0,0,0,0,0,0|0,1,2]=3 120 B5R0.2 COCCOC TS07877 [0,0,0,0,0,0|2,1,0]=3 121 B5R0.2 COCC[Hg]Cl TS58532 [0,0,0,0,0,0|2,1,0]=3 122 B5R0.2 COCN=C=S TS03997 [0,0,0,0,0,0|1,2,1]=4 123 B5R0.2 CSCCCN TS65714 [0,0,0,0,0,0|1,0,1]=2 124 B5R0.2 CSCCCO TS04105 [0,0,0,0,0,0|0,0,2]=2 125 B5R0.2 CSSCC=C TS32437 [0,0,0,0,0,0|2,0,0]=2 126 B5R0.2 CSSSSC TS11071 [0,0,0,0,0,0|4,0,0]=4 127 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [0,0,0,0,0,0|2,1,0]=3 128 B4R0.2 C#CCCN TS31717 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 C#CCCO TS09504 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.2 C(C=CBr)Br TS37833 [1,0,0,0,0,0|2,0,1]=4 131 B4R0.2 C(C=CCl)Cl TS04226 [1,0,0,0,0,0|2,0,1]=4 132 B4R0.2 C(C=CCl)Cl TS04227 [1,0,0,0,0,0|2,0,1]=4 133 B4R0.2 C(C=CCl)Cl TS92961 [1,0,0,0,0,0|2,0,1]=4 134 B4R0.2 C(C=O)C=O TS71592 [1,0,0,0,0,0|0,1,1]=3 135 B4R0.2 C(CBr)CBr TS46797 [1,0,0,0,0,0|2,0,1]=4 136 B4R0.2 C(CBr)CI TS27842 [1,0,0,0,0,0|2,0,1]=4 137 B4R0.2 C(CCl)C#N TS03611 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.2 C(CCl)C=O TS71867 [1,0,0,0,0,0|1,0,0]=2 139 B4R0.2 C(CCl)CBr TS46925 [1,0,0,0,0,0|2,0,1]=4 140 B4R0.2 C(CCl)CCl TS31994 [1,0,0,0,0,0|2,0,1]=4 141 B4R0.2 C(CF)CBr TS37464 [1,0,0,0,0,0|2,0,1]=4 142 B4R0.2 C(CF)CF TS71664 [1,0,0,0,0,0|2,0,1]=4 143 B4R0.2 C(CI)CI TS93960 [1,0,0,0,0,0|2,0,1]=4 144 B4R0.2 C(CN)C#N TS03335 [1,0,0,0,0,0|2,0,1]=4 145 B4R0.2 C(CN)CBr TS09494 [1,0,0,0,0,0|2,0,1]=4 146 B4R0.2 C(CN)CCl TS00183 [1,0,0,0,0,0|2,0,1]=4 147 B4R0.2 C(CN)CF TS04405 [1,0,0,0,0,0|2,0,1]=4 148 B4R0.2 C(CN)CN TS07879 [1,0,0,0,0,0|2,0,1]=4 149 B4R0.2 C(CN)CN TS34480 [1,0,0,0,0,0|2,0,1]=4 150 B4R0.2 C(CN)CN TS40489 [1,0,0,0,0,0|2,0,1]=4 151 B4R0.2 C(CN)CO TS04258 [1,0,0,0,0,0|1,0,2]=4 152 B4R0.2 C(CN)CO TS08858 [1,0,0,0,0,0|1,0,2]=4 153 B4R0.2 C(CO)C#N TS02797 [1,0,0,0,0,0|1,1,1]=4 154 B4R0.2 C(CO)CBr TS59604 [1,0,0,0,0,0|1,0,2]=4 155 B4R0.2 C(CO)CCl TS02021 [1,0,0,0,0,0|1,0,2]=4 156 B4R0.2 C(CO)CF TS00151 [1,0,0,0,0,0|1,0,2]=4 157 B4R0.2 C(CO)CI TS70633 [1,0,0,0,0,0|1,0,2]=4 158 B4R0.2 C(CO)CO TS00379 [1,0,0,0,0,0|0,1,2]=4 159 B4R0.2 C(CO)NN TS55378 [1,0,0,0,0,0|2,0,1]=4 160 B4R0.2 C(CP)CP TS04129 [1,0,0,0,0,0|2,0,1]=4 161 B4R0.2 C(CS)C#N TS71771 [1,0,0,0,0,0|1,0,1]=3 162 B4R0.2 C(CS)CCl TS31868 [1,0,0,0,0,0|1,0,1]=3 163 B4R0.2 C(CS)CS TS04153 [1,0,0,0,0,0|0,1,1]=3 164 B4R0.2 C=CCC#C TS66005 [1,0,0,0,0,0|1,0,2]=4 165 B4R0.2 C=CCC#N TS70615 [1,0,0,0,0,0|2,0,1]=4 166 B4R0.2 C=CCC=C TS70907 [1,0,0,0,0,0|1,0,2]=4 167 B4R0.2 C=CCCBr TS03033 [1,0,0,0,0,0|2,0,0]=3 168 B4R0.2 C=CCCCl TS03638 [1,0,0,0,0,0|2,0,0]=3 169 B4R0.2 C=CCCN TS01596 [1,0,0,0,0,0|2,0,0]=3 170 B4R0.2 C=CCCN TS04120 [1,0,0,0,0,0|2,0,0]=3 171 B4R0.2 C=CCCO TS71598 [1,0,0,0,0,0|1,1,0]=3 172 B4R0.2 C=CCNN TS55729 [1,0,0,0,0,0|2,0,1]=4 173 B4R0.2 C=CCON TS31812 [1,0,0,0,0,0|1,1,1]=4 174 B4R0.2 C=CC[Mg]Br TS07129 [1,0,0,0,0,0|2,0,1]=4 175 B4R0.2 C=CC[Pd]Cl TS79784 [1,0,0,0,0,0|2,0,1]=4 176 B4R0.2 C=CNC=O TS03372 [1,0,0,0,0,0|1,0,2]=4 177 B4R0.2 C=COC=O TS71590 [1,0,0,0,0,0|1,0,2]=4 178 B4R0.2 C=NCC#N TS70861 [1,0,0,0,0,0|3,0,0]=4 179 B4R0.2 CC#CCBr TS05801 [1,0,0,0,0,0|2,0,1]=4 180 B4R0.2 CC#CCO TS03272 [1,0,0,0,0,0|1,0,2]=4 181 B4R0.2 CC=CC=C TS06116 [1,0,0,0,0,0|1,0,2]=4 182 B4R0.2 CC=CC=C TS71007 [1,0,0,0,0,0|1,0,2]=4 183 B4R0.2 CC=CC=O TS16977 [1,0,0,0,0,0|0,0,2]=3 184 B4R0.2 CC=CCCl TS03634 [1,0,0,0,0,0|2,0,1]=4 185 B4R0.2 CC=CCN TS01395 [1,0,0,0,0,0|2,0,1]=4 186 B4R0.2 CC=CCO TS71604 [1,0,0,0,0,0|1,0,2]=4 187 B4R0.2 CC=COC TS71611 [1,0,0,0,0,0|1,1,1]=4 188 B4R0.2 CCC#CBr TS05800 [1,0,0,0,0,0|1,0,2]=4 189 B4R0.2 CCC#CC TS03009 [1,0,0,0,0,0|1,0,2]=4 190 B4R0.2 CCC#CI TS47811 [1,0,0,0,0,0|1,0,2]=4 191 B4R0.2 CCC=C=C TS70908 [1,0,0,0,0,0|1,0,2]=4 192 B4R0.2 CCC=CBr TS33033 [1,0,0,0,0,0|1,0,1]=3 193 B4R0.2 CCC=CC TS03361 [1,0,0,0,0,0|1,0,1]=3 194 B4R0.2 CCC=CCl TS03636 [1,0,0,0,0,0|1,0,1]=3 195 B4R0.2 CCC=CCl TS03637 [1,0,0,0,0,0|1,0,1]=3 196 B4R0.2 CCC=NS TS31707 [1,0,0,0,0,0|1,1,1]=4 197 B4R0.2 CCCC#C TS70989 [1,0,0,0,0,0|1,0,1]=3 198 B4R0.2 CCCC#N TS03176 [1,0,0,0,0,0|1,0,1]=3 199 B4R0.2 CCCC=O TS71609 [1,0,0,0,0,0|0,0,0]=1 200 B4R0.2 CCCCBr TS37077 [1,0,0,0,0,0|1,0,1]=3 201 B4R0.2 CCCCBr TS93069 [1,0,0,0,0,0|1,0,1]=3 202 B4R0.2 CCCCC TS71613 [1,0,0,0,0,0|1,0,1]=3 203 B4R0.2 CCCCCl TS39594 [1,0,0,0,0,0|1,0,1]=3 204 B4R0.2 CCCCF TS71643 [1,0,0,0,0,0|1,0,1]=3 205 B4R0.2 CCCCI TS48513 [1,0,0,0,0,0|1,0,1]=3 206 B4R0.2 CCCCN TS03383 [1,0,0,0,0,0|1,0,1]=3 207 B4R0.2 CCCCN TS04172 [1,0,0,0,0,0|1,0,1]=3 208 B4R0.2 CCCCO TS03407 [1,0,0,0,0,0|0,0,2]=3 209 B4R0.2 CCCCS TS71854 [1,0,0,0,0,0|0,1,1]=3 210 B4R0.2 CCCC[O-] TS31364 [1,0,0,0,0,0|0,0,2]=3 211 B4R0.2 CCCC[O-] TS64270 [1,0,0,0,0,0|0,0,2]=3 212 B4R0.2 CCCC[O-] TS66591 [1,0,0,0,0,0|0,0,2]=3 213 B4R0.2 CCCC[O-] TS67287 [1,0,0,0,0,0|0,0,2]=3 214 B4R0.2 CCCC[O-] TS82799 [1,0,0,0,0,0|0,0,2]=3 215 B4R0.2 CCCC[O-] TS83727 [1,0,0,0,0,0|0,0,2]=3 216 B4R0.2 CCCC[S-] TS31943 [1,0,0,0,0,0|0,1,1]=3 217 B4R0.2 CCCC[Si] TS71817 [1,0,0,0,0,0|1,0,1]=3 218 B4R0.2 CCCC[Zn+] TS19474 [1,0,0,0,0,0|1,0,1]=3 219 B4R0.2 CCCNC TS03381 [1,0,0,0,0,0|1,0,1]=3 220 B4R0.2 CCCOC TS03404 [1,0,0,0,0,0|0,1,1]=3 221 B4R0.2 CCCO[NH3+] TS04256 [1,0,0,0,0,0|2,0,0]=3 222 B4R0.2 CCCSC TS71857 [1,0,0,0,0,0|0,0,1]=2 223 B4R0.2 CCC[Mg]Br TS07380 [1,0,0,0,0,0|2,0,0]=3 224 B4R0.2 CCC[Mg]Cl TS31623 [1,0,0,0,0,0|2,0,0]=3 225 B4R0.2 CCC[Zn]Br TS50817 [1,0,0,0,0,0|2,0,0]=3 226 B4R0.2 CCN=C=O TS01458 [1,0,0,0,0,0|1,0,1]=3 227 B4R0.2 CCN=C=S TS71772 [1,0,0,0,0,0|1,1,1]=4 228 B4R0.2 CCNC=O TS03379 [1,0,0,0,0,0|1,0,0]=2 229 B4R0.2 CCNCC TS03384 [1,0,0,0,0,0|2,0,1]=4 230 B4R0.2 CCNCC TS04169 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.2 CCNCC TS05835 [1,0,0,0,0,0|2,0,1]=4 232 B4R0.2 CCNCC TS10368 [1,0,0,0,0,0|2,0,1]=4 233 B4R0.2 CCNCC TS12959 [1,0,0,0,0,0|2,0,1]=4 234 B4R0.2 CCOC#C TS71444 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.2 CCOC=C TS71601 [1,0,0,0,0,0|2,0,0]=3 236 B4R0.2 CCOC=O TS03393 [1,0,0,0,0,0|1,0,0]=2 237 B4R0.2 CCOCC TS03401 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.2 CCOCC TS42371 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.2 CCOCC TS43884 [1,0,0,0,0,0|2,0,1]=4 240 B4R0.2 CCOCC TS68115 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.2 CCOCC TS79120 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.2 CCOCCl TS39832 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.2 CCON=O TS71627 [1,0,0,0,0,0|2,0,0]=3 244 B4R0.2 CCPCC TS71830 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.2 CCSC#N TS71770 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.2 CCSC=C TS71813 [1,0,0,0,0,0|2,0,0]=3 247 B4R0.2 CCSCC TS71853 [1,0,0,0,0,0|2,0,1]=4 248 B4R0.2 CCSSC TS04155 [1,0,0,0,0,0|1,0,1]=3 249 B4R0.2 CC[Al+]CC TS32445 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.2 CC[Al+]CC TS36486 [1,0,0,0,0,0|2,0,1]=4 251 B4R0.2 CC[Cd]CC TS45221 [1,0,0,0,0,0|2,0,1]=4 252 B4R0.2 CC[Ga+]CC TS42641 [1,0,0,0,0,0|2,0,1]=4 253 B4R0.2 CC[GeH2]CC TS36741 [1,0,0,0,0,0|1,1,1]=4 254 B4R0.2 CC[Hg]CC TS68206 [1,0,0,0,0,0|2,0,1]=4 255 B4R0.2 CC[Mg]CC TS71690 [1,0,0,0,0,0|2,0,1]=4 256 B4R0.2 CC[N-]CC TS71656 [1,0,0,0,0,0|2,0,1]=4 257 B4R0.2 CC[Se]CC TS37078 [1,0,0,0,0,0|2,0,1]=4 258 B4R0.2 CC[SiH2]CC TS71816 [1,0,0,0,0,0|1,1,1]=4 259 B4R0.2 CC[Te]CC TS15549 [1,0,0,0,0,0|2,0,1]=4 260 B4R0.2 CC[Zn]CC TS04983 [1,0,0,0,0,0|2,0,1]=4 261 B4R0.2 CNCC#N TS03334 [1,0,0,0,0,0|2,0,1]=4 262 B4R0.2 CNCC#N TS12514 [1,0,0,0,0,0|2,0,1]=4 263 B4R0.2 CNCC#N TS56312 [1,0,0,0,0,0|2,0,1]=4 264 B4R0.2 CNCCN TS03408 [1,0,0,0,0,0|2,0,0]=3 265 B4R0.2 CNCCO TS00099 [1,0,0,0,0,0|1,0,1]=3 266 B4R0.2 COCC#C TS09815 [1,0,0,0,0,0|0,1,2]=4 267 B4R0.2 COCC#N TS03371 [1,0,0,0,0,0|1,1,1]=4 268 B4R0.2 COCC=C TS94286 [1,0,0,0,0,0|0,1,1]=3 269 B4R0.2 COCC=O TS03388 [1,0,0,0,0,0|0,1,0]=2 270 B4R0.2 COCCBr TS65036 [1,0,0,0,0,0|1,1,0]=3 271 B4R0.2 COCCBr TS93982 [1,0,0,0,0,0|1,1,0]=3 272 B4R0.2 COCCCl TS03687 [1,0,0,0,0,0|1,1,0]=3 273 B4R0.2 COCCN TS71632 [1,0,0,0,0,0|1,1,0]=3 274 B4R0.2 COCCO TS71642 [1,0,0,0,0,0|0,1,1]=3 275 B4R0.2 COCC[O-] TS03754 [1,0,0,0,0,0|0,1,1]=3 276 B4R0.2 COCC[O-] TS44727 [1,0,0,0,0,0|0,1,1]=3 277 B4R0.2 COCC[O-] TS45853 [1,0,0,0,0,0|0,1,1]=3 278 B4R0.2 COCOC TS08721 [1,0,0,0,0,0|1,1,1]=4 279 B4R0.2 CSCC=C TS71811 [1,0,0,0,0,0|0,0,1]=2 280 B4R0.2 CSCCCl TS31867 [1,0,0,0,0,0|1,0,0]=2 281 B4R0.2 CSCCCl TS93571 [1,0,0,0,0,0|1,0,0]=2 282 B4R0.2 CSCCN TS03646 [1,0,0,0,0,0|1,0,0]=2 283 B4R0.2 CSCCO TS71862 [1,0,0,0,0,0|0,0,1]=2 284 B4R0.2 CSCSC TS04154 [1,0,0,0,0,0|1,0,1]=3 285 B4R0.2 CSSSC TS36187 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.2 [2H]OCCC TS65595 [1,0,0,0,0,0|2,0,0]=3 287 B4R0.2 [Li]CCCC TS39912 [1,0,0,0,0,0|1,0,1]=3 288 B6R0.1 C=CC(CCO)N TS31560 [0,1,0,0,0,0|3,0,0]=4 289 B6R0.1 C=CCC(C=C)O TS31423 [0,1,0,0,0,0|2,0,1]=4 290 B6R0.1 CC(CC=C)C=C TS31383 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.1 CC(CC=O)SC TS32354 [0,1,0,0,0,0|0,0,0]=1 292 B6R0.1 CC(CCO)C=C TS31514 [0,1,0,0,0,0|3,0,0]=4 293 B6R0.1 CC(CCO)OC TS04039 [0,1,0,0,0,0|0,1,2]=4 294 B6R0.1 CC(COC)OC TS94098 [0,1,0,0,0,0|2,1,0]=4 295 B6R0.1 CC=C(C)CC=C TS03736 [0,1,0,0,0,0|2,0,1]=4 296 B6R0.1 CCC(=O)CSC TS32357 [0,1,0,0,0,0|1,0,2]=4 297 B6R0.1 CCC(C)C=CC TS03791 [0,1,0,0,0,0|2,0,1]=4 298 B6R0.1 CCC(C)CC#C TS03734 [0,1,0,0,0,0|2,0,1]=4 299 B6R0.1 CCC(C)CC=C TS03804 [0,1,0,0,0,0|2,0,0]=3 300 B6R0.1 CCC(C)CC=O TS31513 [0,1,0,0,0,0|1,0,0]=2 301 B6R0.1 CCC(C)CCBr TS42853 [0,1,0,0,0,0|2,0,1]=4 302 B6R0.1 CCC(C)CCO TS31615 [0,1,0,0,0,0|1,0,2]=4 303 B6R0.1 CCC(C)ON=O TS31635 [0,1,0,0,0,0|3,0,0]=4 304 B6R0.1 CCC(C=CC)O TS03868 [0,1,0,0,0,0|2,0,1]=4 305 B6R0.1 CCC(CC#C)O TS31435 [0,1,0,0,0,0|2,0,1]=4 306 B6R0.1 CCC(CC=C)O TS31532 [0,1,0,0,0,0|2,0,0]=3 307 B6R0.1 CCC(CCN)N TS03976 [0,1,0,0,0,0|2,0,1]=4 308 B6R0.1 CCC(COC)N TS04013 [0,1,0,0,0,0|1,1,1]=4 309 B6R0.1 CCC(COC)O TS04038 [0,1,0,0,0,0|1,1,1]=4 310 B6R0.1 CCC=C(C)C=O TS03779 [0,1,0,0,0,0|1,0,2]=4 311 B6R0.1 CCCC(=C)C=O TS31425 [0,1,0,0,0,0|1,0,1]=3 312 B6R0.1 CCCC(=CC)C TS31455 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.1 CCCC(C#C)O TS31446 [0,1,0,0,0,0|2,0,1]=4 314 B6R0.1 CCCC(C)C#C TS31387 [0,1,0,0,0,0|2,0,1]=4 315 B6R0.1 CCCC(C)C=C TS03798 [0,1,0,0,0,0|2,0,0]=3 316 B6R0.1 CCCC(C)C=O TS01565 [0,1,0,0,0,0|1,0,0]=2 317 B6R0.1 CCCC(C)CBr TS42857 [0,1,0,0,0,0|2,0,1]=4 318 B6R0.1 CCCC(C)CC TS03886 [0,1,0,0,0,0|2,0,1]=4 319 B6R0.1 CCCC(C)CO TS39282 [0,1,0,0,0,0|1,0,2]=4 320 B6R0.1 CCCC(C)NC TS03920 [0,1,0,0,0,0|2,0,1]=4 321 B6R0.1 CCCC(C=C)O TS03859 [0,1,0,0,0,0|2,0,0]=3 322 B6R0.1 CCCC(CBr)Br TS52925 [0,1,0,0,0,0|2,0,1]=4 323 B6R0.1 CCCC(CC)Br TS42856 [0,1,0,0,0,0|2,0,1]=4 324 B6R0.1 CCCC(CC)Cl TS04841 [0,1,0,0,0,0|2,0,1]=4 325 B6R0.1 CCCC(CC)I TS44109 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.1 CCCC(CC)N TS31564 [0,1,0,0,0,0|2,0,1]=4 327 B6R0.1 CCCC(CC)O TS31611 [0,1,0,0,0,0|2,0,1]=4 328 B6R0.1 CCCC(CC)S TS40939 [0,1,0,0,0,0|2,0,1]=4 329 B6R0.1 CCCC(CC)[Zn+] TS24971 [0,1,0,0,0,0|2,0,1]=4 330 B6R0.1 CCCC(CCl)Cl TS06553 [0,1,0,0,0,0|2,0,1]=4 331 B6R0.1 CCCC(CO)O TS04026 [0,1,0,0,0,0|1,0,2]=4 332 B6R0.1 CCCN(C)N=O TS31599 [0,1,0,0,0,0|3,0,0]=4 333 B6R0.1 CCC[C@@H](CO)N TS04002 [0,1,0,0,0,0|1,0,2]=4 334 B6R0.1 CCC[C@@H](CO)O TS04042 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.1 CCC[C@H](CO)N TS04000 [0,1,0,0,0,0|1,0,2]=4 336 B6R0.1 CCOC(=O)C=O TS56148 [0,1,0,0,0,0|2,0,1]=4 337 B6R0.1 CC[C@H](C)CCBr TS42859 [0,1,0,0,0,0|2,0,1]=4 338 B6R0.1 CC[C@H](C)CCO TS31612 [0,1,0,0,0,0|1,0,2]=4 339 B6R0.1 CNCC(CO)O TS04078 [0,1,0,0,0,0|1,0,2]=4 340 B6R0.1 COC(=O)CC=C TS31502 [0,1,0,0,0,0|1,1,1]=4 341 B6R0.1 COC(=O)CSC TS39398 [0,1,0,0,0,0|2,0,1]=4 342 B6R0.1 COCC(CCl)O TS36028 [0,1,0,0,0,0|1,1,1]=4 343 B6R0.1 COCC(CF)O TS31763 [0,1,0,0,0,0|1,1,1]=4 344 B6R0.1 COCC(CO)O TS04080 [0,1,0,0,0,0|0,1,2]=4 345 B6R0.1 CSCC(CO)O TS32525 [0,1,0,0,0,0|0,0,2]=3 346 B6R0.4 B(CCCC)(Cl)Cl TS06333 [0,1,0,0,0,0|3,0,0]=4 347 B6R0.4 B(CCCC)(O)O TS94589 [0,1,0,0,0,0|2,0,1]=4 348 B6R0.4 C#CCCC(=O)O TS03769 [0,1,0,0,0,0|1,0,1]=3 349 B6R0.4 C#CCOC(=O)Cl TS04763 [0,1,0,0,0,0|2,0,1]=4 350 B6R0.4 C(C(=O)O)NC=O TS31630 [0,1,0,0,0,0|3,0,0]=4 351 B6R0.4 C(C(=O)O)[Se]C#N TS42657 [0,1,0,0,0,0|3,0,0]=4 352 B6R0.4 C(CBr)OC(=O)Cl TS50601 [0,1,0,0,0,0|3,0,0]=4 353 B6R0.4 C(CC(=O)Cl)CBr TS94813 [0,1,0,0,0,0|2,0,0]=3 354 B6R0.4 C(CC(=O)Cl)CCl TS33157 [0,1,0,0,0,0|2,0,0]=3 355 B6R0.4 C(CC(=O)N)CN TS37256 [0,1,0,0,0,0|2,0,0]=3 356 B6R0.4 C(CC(=O)O)C#N TS02729 [0,1,0,0,0,0|2,0,0]=3 357 B6R0.4 C(CC(=O)O)C=O TS31586 [0,1,0,0,0,0|2,0,0]=3 358 B6R0.4 C(CC(=O)O)CBr TS39744 [0,1,0,0,0,0|2,0,0]=3 359 B6R0.4 C(CC(=O)O)CI TS44433 [0,1,0,0,0,0|2,0,0]=3 360 B6R0.4 C(CC(=O)O)CN TS31643 [0,1,0,0,0,0|2,0,0]=3 361 B6R0.4 C(CC(=O)[O-])CO TS01692 [0,1,0,0,0,0|2,0,0]=3 362 B6R0.4 C(CCl)NC(=O)N TS04945 [0,1,0,0,0,0|3,0,0]=4 363 B6R0.4 C(CCl)OC(=O)Cl TS06815 [0,1,0,0,0,0|3,0,0]=4 364 B6R0.4 C(CCl)OC(=O)N TS04987 [0,1,0,0,0,0|3,0,0]=4 365 B6R0.4 C(CO)NC(=O)N TS04021 [0,1,0,0,0,0|3,0,0]=4 366 B6R0.4 C(C[N+](=O)[O-])CO TS04073 [0,1,0,0,0,0|3,0,0]=4 367 B6R0.4 C=CCCC(=O)Cl TS71274 [0,1,0,0,0,0|1,0,1]=3 368 B6R0.4 C=CCCC(=O)O TS31497 [0,1,0,0,0,0|1,0,1]=3 369 B6R0.4 C=CCC[SiH](Cl)Cl TS10547 [0,1,0,0,0,0|3,0,0]=4 370 B6R0.4 C=CCNC(=O)N TS03854 [0,1,0,0,0,0|2,0,1]=4 371 B6R0.4 C=CCOC(=O)Cl TS33219 [0,1,0,0,0,0|2,0,1]=4 372 B6R0.4 C=CCOC(=O)N TS31538 [0,1,0,0,0,0|2,0,1]=4 373 B6R0.4 C=CCSC(=O)Cl TS06139 [0,1,0,0,0,0|2,0,1]=4 374 B6R0.4 CC(=C)CCC=C TS03725 [0,1,0,0,0,0|2,0,0]=3 375 B6R0.4 CC(=C)CCCO TS31523 [0,1,0,0,0,0|1,0,2]=4 376 B6R0.4 CC(=CCC=C)C TS03719 [0,1,0,0,0,0|2,0,1]=4 377 B6R0.4 CC(=O)C=COC TS03850 [0,1,0,0,0,0|0,1,2]=4 378 B6R0.4 CC(=O)CCC=C TS31440 [0,1,0,0,0,0|1,0,1]=3 379 B6R0.4 CC(=O)CCCCl TS03260 [0,1,0,0,0,0|2,0,0]=3 380 B6R0.4 CC(=O)CCCO TS39779 [0,1,0,0,0,0|2,0,0]=3 381 B6R0.4 CC(=O)CCSC TS32359 [0,1,0,0,0,0|0,0,0]=1 382 B6R0.4 CC(=O)NCCN TS31596 [0,1,0,0,0,0|3,0,0]=4 383 B6R0.4 CC(=O)NCCO TS03989 [0,1,0,0,0,0|3,0,0]=4 384 B6R0.4 CC(=O)NCCS TS04795 [0,1,0,0,0,0|3,0,0]=4 385 B6R0.4 CC(=O)OCC#C TS03765 [0,1,0,0,0,0|2,0,1]=4 386 B6R0.4 CC(=O)OCC=C TS03845 [0,1,0,0,0,0|2,0,1]=4 387 B6R0.4 CC(=O)OCC=O TS31580 [0,1,0,0,0,0|2,0,0]=3 388 B6R0.4 CC(=O)OCCBr TS55164 [0,1,0,0,0,0|3,0,0]=4 389 B6R0.4 CC(=O)OCCCl TS04941 [0,1,0,0,0,0|3,0,0]=4 390 B6R0.4 CC(=O)OCCO TS31665 [0,1,0,0,0,0|3,0,0]=4 391 B6R0.4 CC(=S)OCC=C TS04611 [0,1,0,0,0,0|3,0,0]=4 392 B6R0.4 CC(C)C=CC=O TS31437 [0,1,0,0,0,0|1,0,2]=4 393 B6R0.4 CC(C)CCC#C TS03732 [0,1,0,0,0,0|2,0,1]=4 394 B6R0.4 CC(C)CCC=C TS03801 [0,1,0,0,0,0|2,0,0]=3 395 B6R0.4 CC(C)CCC=O TS39767 [0,1,0,0,0,0|1,0,0]=2 396 B6R0.4 CC(C)CCCBr TS42858 [0,1,0,0,0,0|2,0,1]=4 397 B6R0.4 CC(C)CCCO TS03963 [0,1,0,0,0,0|1,0,2]=4 398 B6R0.4 CC(C)CCNC TS03922 [0,1,0,0,0,0|2,0,1]=4 399 B6R0.4 CC(C)COC=C TS31530 [0,1,0,0,0,0|3,0,0]=4 400 B6R0.4 CC(C)COC=O TS03939 [0,1,0,0,0,0|2,0,0]=3 401 B6R0.4 CC(C)CON=O TS03992 [0,1,0,0,0,0|3,0,0]=4 402 B6R0.4 CC(C)SCC=C TS04640 [0,1,0,0,0,0|3,0,0]=4 403 B6R0.4 CC(CCC=C)Br TS11654 [0,1,0,0,0,0|2,0,0]=3 404 B6R0.4 CC(CCC=C)O TS31524 [0,1,0,0,0,0|2,0,0]=3 405 B6R0.4 CC(CCCBr)Br TS52922 [0,1,0,0,0,0|2,0,1]=4 406 B6R0.4 CC(CCCO)O TS04032 [0,1,0,0,0,0|1,0,2]=4 407 B6R0.4 CC=CCC(C)C TS03790 [0,1,0,0,0,0|2,0,1]=4 408 B6R0.4 CC=NNC(=O)N TS31550 [0,1,0,0,0,0|3,0,0]=4 409 B6R0.4 CCC#CC(=O)C TS31369 [0,1,0,0,0,0|1,0,2]=4 410 B6R0.4 CCC#CC(=O)O TS03759 [0,1,0,0,0,0|1,0,2]=4 411 B6R0.4 CCC=CC(=O)C TS31424 [0,1,0,0,0,0|1,0,2]=4 412 B6R0.4 CCC=CC(=O)O TS03448 [0,1,0,0,0,0|1,0,2]=4 413 B6R0.4 CCC=CC(=O)O TS31503 [0,1,0,0,0,0|1,0,2]=4 414 B6R0.4 CCCCC(=C)C TS31452 [0,1,0,0,0,0|2,0,0]=3 415 B6R0.4 CCCCC(=O)Br TS42846 [0,1,0,0,0,0|1,0,0]=2 416 B6R0.4 CCCCC(=O)C TS31529 [0,1,0,0,0,0|1,0,0]=2 417 B6R0.4 CCCCC(=O)Cl TS32451 [0,1,0,0,0,0|1,0,0]=2 418 B6R0.4 CCCCC(=O)N TS31554 [0,1,0,0,0,0|1,0,0]=2 419 B6R0.4 CCCCC(=O)O TS03958 [0,1,0,0,0,0|1,0,0]=2 420 B6R0.4 CCCCC(=O)[O-] TS04789 [0,1,0,0,0,0|1,0,0]=2 421 B6R0.4 CCCCC(=O)[O-] TS30457 [0,1,0,0,0,0|1,0,0]=2 422 B6R0.4 CCCCC(C)Br TS42855 [0,1,0,0,0,0|2,0,1]=4 423 B6R0.4 CCCCC(C)C TS03881 [0,1,0,0,0,0|2,0,1]=4 424 B6R0.4 CCCCC(C)Cl TS04843 [0,1,0,0,0,0|2,0,1]=4 425 B6R0.4 CCCCC(C)I TS44108 [0,1,0,0,0,0|2,0,1]=4 426 B6R0.4 CCCCC(C)N TS31565 [0,1,0,0,0,0|2,0,1]=4 427 B6R0.4 CCCCC(C)O TS31617 [0,1,0,0,0,0|1,0,2]=4 428 B6R0.4 CCCCN(C)C TS03927 [0,1,0,0,0,0|2,0,1]=4 429 B6R0.4 CCCC[C@@H](C)N TS03923 [0,1,0,0,0,0|2,0,1]=4 430 B6R0.4 CCCC[C@@H](C)O TS03965 [0,1,0,0,0,0|1,0,2]=4 431 B6R0.4 CCCC[C@H](C)N TS03919 [0,1,0,0,0,0|2,0,1]=4 432 B6R0.4 CCCC[C@H](C)O TS31613 [0,1,0,0,0,0|1,0,2]=4 433 B6R0.4 CCCC[N+](=O)[O-] TS31647 [0,1,0,0,0,0|2,0,0]=3 434 B6R0.4 CCCC[Si](C)C TS04645 [0,1,0,0,0,0|2,0,1]=4 435 B6R0.4 CCCC[Sn](=O)O TS43570 [0,1,0,0,0,0|2,0,0]=3 436 B6R0.4 CCCNC(=O)N TS31594 [0,1,0,0,0,0|2,0,0]=3 437 B6R0.4 CCCNC(=O)[O-] TS31634 [0,1,0,0,0,0|2,0,0]=3 438 B6R0.4 CCCOC(=O)C TS03949 [0,1,0,0,0,0|2,0,0]=3 439 B6R0.4 CCCOC(=O)Cl TS55808 [0,1,0,0,0,0|2,0,0]=3 440 B6R0.4 CCCON(=O)=O TS04066 [0,1,0,0,0,0|3,0,0]=4 441 B6R0.4 CCCSC(=O)C TS32364 [0,1,0,0,0,0|2,0,0]=3 442 B6R0.4 CCCSC(=O)Cl TS06329 [0,1,0,0,0,0|2,0,0]=3 443 B6R0.4 CCNCC(=C)C TS03829 [0,1,0,0,0,0|3,0,0]=4 444 B6R0.4 CCNCC(=O)O TS01936 [0,1,0,0,0,0|2,0,0]=3 445 B6R0.4 CCOCC(=O)O TS16814 [0,1,0,0,0,0|2,0,0]=3 446 B6R0.4 CCSCC(=O)C TS32360 [0,1,0,0,0,0|2,0,0]=3 447 B6R0.4 CCSCC(=O)O TS04822 [0,1,0,0,0,0|2,0,0]=3 448 B6R0.4 CN(C)C=CC=O TS02738 [0,1,0,0,0,0|1,0,2]=4 449 B6R0.4 CN(C)CCC#N TS03786 [0,1,0,0,0,0|2,0,1]=4 450 B6R0.4 CN(C)CCCN TS39904 [0,1,0,0,0,0|2,0,1]=4 451 B6R0.4 CN(C)CCCO TS03999 [0,1,0,0,0,0|1,0,2]=4 452 B6R0.4 CNCCC(=O)O TS03990 [0,1,0,0,0,0|1,0,0]=2 453 B6R0.4 CNCCN(C)C TS39408 [0,1,0,0,0,0|3,0,0]=4 454 B6R0.4 COCCC(=O)O TS31660 [0,1,0,0,0,0|0,1,0]=2 455 B6R0.4 C[C@@H](CCC=C)O TS03860 [0,1,0,0,0,0|2,0,0]=3 456 B6R0.6 C#CCCCCCl TS04652 [0,1,0,0,0,0|2,0,1]=4 457 B6R0.6 C#CCCCCO TS31426 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.6 C(CC=O)CC=O TS03842 [0,1,0,0,0,0|1,0,1]=3 459 B6R0.6 C(CC=O)CC=O TS38555 [0,1,0,0,0,0|1,0,1]=3 460 B6R0.6 C(CCBr)CC#N TS11479 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.6 C(CCBr)CCBr TS07888 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.6 C(CCCl)CC#N TS08706 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.6 C(CCCl)CC=O TS32450 [0,1,0,0,0,0|1,0,0]=2 464 B6R0.6 C(CCCl)CCBr TS48788 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.6 C(CCCl)CCCl TS06550 [0,1,0,0,0,0|2,0,1]=4 466 B6R0.6 C(CCCl)CCI TS53384 [0,1,0,0,0,0|2,0,1]=4 467 B6R0.6 C(CCCl)CC[Zn+] TS28126 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.6 C(CCI)CCI TS77462 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.6 C(CCN)CCN TS03978 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.6 C(CCN)CCN TS45899 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.6 C(CCN)CCO TS04006 [0,1,0,0,0,0|1,0,2]=4 472 B6R0.6 C(CCO)CC=O TS03340 [0,1,0,0,0,0|1,0,0]=2 473 B6R0.6 C(CCO)CCBr TS09812 [0,1,0,0,0,0|1,0,2]=4 474 B6R0.6 C(CCO)CCCl TS71520 [0,1,0,0,0,0|1,0,2]=4 475 B6R0.6 C(CCO)CCO TS46820 [0,1,0,0,0,0|1,0,2]=4 476 B6R0.6 C(CCS)CCS TS37065 [0,1,0,0,0,0|1,1,1]=4 477 B6R0.6 C(CC[Zn+])CC#N TS24406 [0,1,0,0,0,0|2,0,1]=4 478 B6R0.6 C(CN=C=O)CCl TS04799 [0,1,0,0,0,0|2,0,1]=4 479 B6R0.6 C(COCC=O)O TS31664 [0,1,0,0,0,0|2,0,0]=3 480 B6R0.6 C(NC=O)NC=O TS03932 [0,1,0,0,0,0|2,0,1]=4 481 B6R0.6 C=CCCCC#C TS03679 [0,1,0,0,0,0|2,0,1]=4 482 B6R0.6 C=CCCCC=C TS03728 [0,1,0,0,0,0|2,0,1]=4 483 B6R0.6 C=CCCCCBr TS33003 [0,1,0,0,0,0|2,0,0]=3 484 B6R0.6 C=CCCCCCl TS04773 [0,1,0,0,0,0|2,0,0]=3 485 B6R0.6 C=CCCCCN TS03830 [0,1,0,0,0,0|2,0,0]=3 486 B6R0.6 C=CCCCCO TS71562 [0,1,0,0,0,0|2,0,0]=3 487 B6R0.6 C=CCCOCCl TS04837 [0,1,0,0,0,0|1,1,0]=3 488 B6R0.6 C=CCNCC=C TS34576 [0,1,0,0,0,0|2,0,1]=4 489 B6R0.6 C=CCNCC=C TS36797 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.6 C=CCOCC=C TS31429 [0,1,0,0,0,0|2,0,1]=4 491 B6R0.6 C=CCOCCBr TS42844 [0,1,0,0,0,0|3,0,0]=4 492 B6R0.6 C=CCOCCCl TS32452 [0,1,0,0,0,0|3,0,0]=4 493 B6R0.6 C=CCOCCO TS31592 [0,1,0,0,0,0|3,0,0]=4 494 B6R0.6 C=CCSCC=C TS04499 [0,1,0,0,0,0|2,0,1]=4 495 B6R0.6 C=CC[Te]CC=C TS43706 [0,1,0,0,0,0|2,0,1]=4 496 B6R0.6 CC=CC=CC=O TS31368 [0,1,0,0,0,0|1,0,2]=4 497 B6R0.6 CC=CCCCO TS31509 [0,1,0,0,0,0|1,0,2]=4 498 B6R0.6 CC=CCCCO TS31521 [0,1,0,0,0,0|1,0,2]=4 499 B6R0.6 CCC#CCC=C TS03677 [0,1,0,0,0,0|2,0,1]=4 500 B6R0.6 CCC=CCC=O TS31443 [0,1,0,0,0,0|1,0,1]=3 501 B6R0.6 CCCC#CC=C TS03678 [0,1,0,0,0,0|2,0,1]=4 502 B6R0.6 CCCC=CC=O TS31421 [0,1,0,0,0,0|1,0,1]=3 503 B6R0.6 CCCC=CC=O TS31438 [0,1,0,0,0,0|1,0,1]=3 504 B6R0.6 CCCC=CC=O TS31444 [0,1,0,0,0,0|1,0,1]=3 505 B6R0.6 CCCC=CCO TS03865 [0,1,0,0,0,0|1,0,2]=4 506 B6R0.6 CCCCC#CC TS03724 [0,1,0,0,0,0|2,0,1]=4 507 B6R0.6 CCCCC=CBr TS11653 [0,1,0,0,0,0|2,0,0]=3 508 B6R0.6 CCCCC=CC TS03803 [0,1,0,0,0,0|2,0,0]=3 509 B6R0.6 CCCCCC#C TS03726 [0,1,0,0,0,0|2,0,1]=4 510 B6R0.6 CCCCCC#N TS31405 [0,1,0,0,0,0|2,0,1]=4 511 B6R0.6 CCCCCC=C TS31453 [0,1,0,0,0,0|2,0,0]=3 512 B6R0.6 CCCCCC=O TS39877 [0,1,0,0,0,0|1,0,0]=2 513 B6R0.6 CCCCCCBr TS00036 [0,1,0,0,0,0|2,0,1]=4 514 B6R0.6 CCCCCCC TS03885 [0,1,0,0,0,0|2,0,1]=4 515 B6R0.6 CCCCCCCl TS04842 [0,1,0,0,0,0|2,0,1]=4 516 B6R0.6 CCCCCCF TS31676 [0,1,0,0,0,0|2,0,1]=4 517 B6R0.6 CCCCCCI TS93973 [0,1,0,0,0,0|2,0,1]=4 518 B6R0.6 CCCCCCN TS31561 [0,1,0,0,0,0|2,0,1]=4 519 B6R0.6 CCCCCCN TS37145 [0,1,0,0,0,0|2,0,1]=4 520 B6R0.6 CCCCCCO TS39881 [0,1,0,0,0,0|1,0,2]=4 521 B6R0.6 CCCCCCS TS04753 [0,1,0,0,0,0|1,1,1]=4 522 B6R0.6 CCCCCC[SiH3] TS04643 [0,1,0,0,0,0|2,0,1]=4 523 B6R0.6 CCCCCC[Zn+] TS24970 [0,1,0,0,0,0|2,0,1]=4 524 B6R0.6 CCCCCNC TS03916 [0,1,0,0,0,0|2,0,1]=4 525 B6R0.6 CCCCCNN TS06331 [0,1,0,0,0,0|2,0,1]=4 526 B6R0.6 CCCCCSC TS04750 [0,1,0,0,0,0|1,0,1]=3 527 B6R0.6 CCCCC[Mg]Cl TS36578 [0,1,0,0,0,0|2,0,1]=4 528 B6R0.6 CCCCN=C=O TS93082 [0,1,0,0,0,0|1,0,1]=3 529 B6R0.6 CCCCN=C=S TS04546 [0,1,0,0,0,0|1,1,1]=4 530 B6R0.6 CCCCNC=O TS03902 [0,1,0,0,0,0|1,0,0]=2 531 B6R0.6 CCCCNCC TS03925 [0,1,0,0,0,0|2,0,1]=4 532 B6R0.6 CCCCOC=C TS33237 [0,1,0,0,0,0|2,0,0]=3 533 B6R0.6 CCCCOC=O TS03954 [0,1,0,0,0,0|1,0,0]=2 534 B6R0.6 CCCCOCC TS03964 [0,1,0,0,0,0|1,1,1]=4 535 B6R0.6 CCCCOCCl TS04949 [0,1,0,0,0,0|1,1,1]=4 536 B6R0.6 CCCCON=O TS31645 [0,1,0,0,0,0|2,0,0]=3 537 B6R0.6 CCCCSC#N TS04545 [0,1,0,0,0,0|1,0,2]=4 538 B6R0.6 CCCCSCC TS04749 [0,1,0,0,0,0|1,0,1]=3 539 B6R0.6 CCCCS[SnH]=O TS23939 [0,1,0,0,0,0|2,0,0]=3 540 B6R0.6 CCCNCCC TS39857 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.6 CCCNCCN TS03973 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.6 CCCNCCO TS04001 [0,1,0,0,0,0|1,0,2]=4 543 B6R0.6 CCCOCCC TS03967 [0,1,0,0,0,0|2,0,1]=4 544 B6R0.6 CCCOCCC TS49356 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.6 CCCOCCCl TS04951 [0,1,0,0,0,0|2,0,1]=4 546 B6R0.6 CCCOCCN TS04012 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.6 CCCSC=CC TS04637 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.6 CCCSCC=C TS04636 [0,1,0,0,0,0|2,0,0]=3 549 B6R0.6 CCCSCCC TS04756 [0,1,0,0,0,0|2,0,1]=4 550 B6R0.6 CCCSCCO TS32433 [0,1,0,0,0,0|1,0,2]=4 551 B6R0.6 CCCSSCC TS37066 [0,1,0,0,0,0|2,0,1]=4 552 B6R0.6 CCCSSSC TS10513 [0,1,0,0,0,0|2,0,1]=4 553 B6R0.6 CCC[Hg]CCC TS35002 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.6 CCNCCC#N TS03784 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.6 CCNCCCN TS03975 [0,1,0,0,0,0|2,0,1]=4 556 B6R0.6 CCNCCNC TS03972 [0,1,0,0,0,0|2,0,1]=4 557 B6R0.6 CCOCCC#N TS03822 [0,1,0,0,0,0|1,1,1]=4 558 B6R0.6 CCOCCCBr TS12340 [0,1,0,0,0,0|1,1,1]=4 559 B6R0.6 CCOCCCCl TS04950 [0,1,0,0,0,0|1,1,1]=4 560 B6R0.6 CCOCCCN TS04010 [0,1,0,0,0,0|1,1,1]=4 561 B6R0.6 CCOCCCO TS04028 [0,1,0,0,0,0|0,1,2]=4 562 B6R0.6 CCOCCOC TS04027 [0,1,0,0,0,0|1,1,1]=4 563 B6R0.6 CCSCCCO TS32432 [0,1,0,0,0,0|0,0,2]=3 564 B6R0.6 CCSSCC=C TS36882 [0,1,0,0,0,0|2,0,0]=3 565 B6R0.6 CNCCCNC TS56351 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.6 COCCCCBr TS03145 [0,1,0,0,0,0|1,1,1]=4 567 B6R0.6 COCCCCCl TS39592 [0,1,0,0,0,0|1,1,1]=4 568 B6R0.6 COCCCCO TS07977 [0,1,0,0,0,0|0,1,2]=4 569 B6R0.6 COCCOC=C TS03941 [0,1,0,0,0,0|1,1,0]=3 570 B6R0.6 COCCOCCl TS39595 [0,1,0,0,0,0|1,1,1]=4 571 B6R0.6 COCOCCBr TS44958 [0,1,0,0,0,0|1,1,1]=4 572 B6R0.6 CSCCCCO TS32429 [0,1,0,0,0,0|0,0,2]=3 573 B6R0.6 CSCCCSC TS37067 [0,1,0,0,0,0|0,1,1]=3 574 B6R0.6 CSSSCC=C TS10236 [0,1,0,0,0,0|2,0,0]=3 575 B6R0.6 [Li]CCCCCC TS03654 [0,1,0,0,0,0|2,0,1]=4 576 B6R1.1 C1CC=CC=C1 TS49690 [0,0,0,1,0,0|2,0,1]=4 577 B6R1.1 C1CC=COC1 TS02542 [0,0,0,1,0,0|1,0,2]=4 578 B6R1.1 C1CCC=CC1 TS34559 [0,0,0,1,0,0|2,0,0]=3 579 B6R1.1 C1CCCCC1 TS71717 [0,0,0,1,0,0|2,0,1]=4 580 B6R1.1 C1CCNCC1 TS03510 [0,0,0,1,0,0|2,0,1]=4 581 B6R1.1 C1CCNCC1 TS04882 [0,0,0,1,0,0|2,0,1]=4 582 B6R1.1 C1CCNCC1 TS10261 [0,0,0,1,0,0|2,0,1]=4 583 B6R1.1 C1CCNNC1 TS42014 [0,0,0,1,0,0|3,0,0]=4 584 B6R1.1 C1CCOCC1 TS26775 [0,0,0,1,0,0|1,0,2]=4 585 B6R1.1 C1CCOCC1 TS71756 [0,0,0,1,0,0|1,0,2]=4 586 B6R1.1 C1CCSCC1 TS03983 [0,0,0,1,0,0|1,0,1]=3 587 B6R1.1 C1CNC=NC1 TS71709 [0,0,0,1,0,0|3,0,0]=4 588 B6R1.1 C1CNCC=C1 TS86919 [0,0,0,1,0,0|2,0,0]=3 589 B6R1.1 C1CNCCN1 TS03538 [0,0,0,1,0,0|3,0,0]=4 590 B6R1.1 C1CNCCN1 TS15278 [0,0,0,1,0,0|3,0,0]=4 591 B6R1.1 C1CNCCN1 TS42015 [0,0,0,1,0,0|3,0,0]=4 592 B6R1.1 C1COCCN1 TS03564 [0,0,0,1,0,0|2,1,0]=4 593 B6R1.1 C1COCCN1 TS04991 [0,0,0,1,0,0|2,1,0]=4 594 B6R1.1 C1COCCO1 TS27395 [0,0,0,1,0,0|2,1,0]=4 595 B6R1.1 C1COCCO1 TS27687 [0,0,0,1,0,0|2,1,0]=4 596 B6R1.1 C1COCCO1 TS46811 [0,0,0,1,0,0|2,1,0]=4 597 B6R1.1 C1CSCCN1 TS00278 [0,0,0,1,0,0|2,0,0]=3 598 B6R1.1 C1CSCCN1 TS37319 [0,0,0,1,0,0|2,0,0]=3 599 B6R1.1 C1CSCCO1 TS31683 [0,0,0,1,0,0|2,0,0]=3 600 B6R1.1 C1CSCCS1 TS32441 [0,0,0,1,0,0|2,0,0]=3 601 B6R1.1 C1CSCSC1 TS59890 [0,0,0,1,0,0|0,1,1]=3 602 B6R1.1 C1SCSCS1 TS37237 [0,0,0,1,0,0|1,1,1]=4 603 B6R1.2 C1C(=O)NCN1 TS32972 [0,0,0,1,0,0|2,0,0]=3 604 B6R1.2 C1C(=O)O[Pt]O1 TS23018 [0,0,0,1,0,0|2,1,0]=4 605 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,1,0,0|2,0,1]=4 606 B6R1.2 C1C=CC(=O)O1 TS03476 [0,0,0,1,0,0|2,0,1]=4 607 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,1,0,0|1,0,1]=3 608 B6R1.2 C1CC(=N)SC1 TS03910 [0,0,0,1,0,0|3,0,0]=4 609 B6R1.2 C1CC(=NC1)N TS04838 [0,0,0,1,0,0|3,0,0]=4 610 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,1,0,0|1,0,1]=3 611 B6R1.2 C1CC(=O)NC1 TS39938 [0,0,0,1,0,0|2,0,0]=3 612 B6R1.2 C1CC(=O)NC1 TS63365 [0,0,0,1,0,0|2,0,0]=3 613 B6R1.2 C1CC(=O)SC1 TS31607 [0,0,0,1,0,0|2,0,0]=3 614 B6R1.2 C1CC(=S)NC1 TS03912 [0,0,0,1,0,0|2,1,0]=4 615 B6R1.2 C1CC(C=C1)Cl TS31621 [0,0,0,1,0,0|3,0,0]=4 616 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,1,0,0|2,0,1]=4 617 B6R1.2 C1CCC(=O)C1 TS03493 [0,0,0,1,0,0|1,0,0]=2 618 B6R1.2 C1CCC(C1)Br TS55827 [0,0,0,1,0,0|2,0,1]=4 619 B6R1.2 C1CCC(C1)Br TS68904 [0,0,0,1,0,0|2,0,1]=4 620 B6R1.2 C1CCC(C1)Cl TS04055 [0,0,0,1,0,0|2,0,1]=4 621 B6R1.2 C1CCC(C1)I TS18162 [0,0,0,1,0,0|2,0,1]=4 622 B6R1.2 C1CCC(C1)N TS34563 [0,0,0,1,0,0|2,0,1]=4 623 B6R1.2 C1CCC(C1)O TS71762 [0,0,0,1,0,0|1,0,2]=4 624 B6R1.2 C1CCC(C1)S TS03980 [0,0,0,1,0,0|1,1,1]=4 625 B6R1.2 C1CCC(C1)[SiH3] TS03890 [0,0,0,1,0,0|2,0,1]=4 626 B6R1.2 C1CCC(C1)[Zn+] TS44590 [0,0,0,1,0,0|2,0,1]=4 627 B6R1.2 C1CCN(C1)N TS03537 [0,0,0,1,0,0|3,0,0]=4 628 B6R1.2 C1CCN(C1)N TS32538 [0,0,0,1,0,0|3,0,0]=4 629 B6R1.2 C1CCS(=O)C1 TS31677 [0,0,0,1,0,0|2,0,0]=3 630 B6R1.2 C1CNC(=O)N1 TS93146 [0,0,0,1,0,0|3,0,0]=4 631 B6R1.2 C1CNCC1=O TS88446 [0,0,0,1,0,0|1,0,0]=2 632 B6R1.2 C1CNCC1F TS36083 [0,0,0,1,0,0|2,0,1]=4 633 B6R1.2 C1CNCC1F TS46663 [0,0,0,1,0,0|2,0,1]=4 634 B6R1.2 C1CNCC1N TS32537 [0,0,0,1,0,0|2,0,1]=4 635 B6R1.2 C1CNCC1O TS02802 [0,0,0,1,0,0|1,0,2]=4 636 B6R1.2 C1CNC[C@@H]1F TS00303 [0,0,0,1,0,0|2,0,1]=4 637 B6R1.2 C1CNC[C@@H]1F TS03597 [0,0,0,1,0,0|2,0,1]=4 638 B6R1.2 C1CNC[C@@H]1N TS03541 [0,0,0,1,0,0|2,0,1]=4 639 B6R1.2 C1CNC[C@@H]1N TS42016 [0,0,0,1,0,0|2,0,1]=4 640 B6R1.2 C1CNC[C@@H]1O TS87275 [0,0,0,1,0,0|1,0,2]=4 641 B6R1.2 C1CNC[C@@H]1O TS87623 [0,0,0,1,0,0|1,0,2]=4 642 B6R1.2 C1CNC[C@H]1F TS08083 [0,0,0,1,0,0|2,0,1]=4 643 B6R1.2 C1CNC[C@H]1F TS88030 [0,0,0,1,0,0|2,0,1]=4 644 B6R1.2 C1CNC[C@H]1N TS39939 [0,0,0,1,0,0|2,0,1]=4 645 B6R1.2 C1CNC[C@H]1N TS42017 [0,0,0,1,0,0|2,0,1]=4 646 B6R1.2 C1CNC[C@H]1O TS46618 [0,0,0,1,0,0|1,0,2]=4 647 B6R1.2 C1CNC[C@H]1O TS46665 [0,0,0,1,0,0|1,0,2]=4 648 B6R1.2 C1CNC[C@H]1O TS91049 [0,0,0,1,0,0|1,0,2]=4 649 B6R1.2 C1CNC[C@H]1O TS94423 [0,0,0,1,0,0|1,0,2]=4 650 B6R1.2 C1CNNC1=O TS04946 [0,0,0,1,0,0|2,0,0]=3 651 B6R1.2 C1COC(=O)N1 TS03552 [0,0,0,1,0,0|3,0,0]=4 652 B6R1.2 C1COC(=O)O1 TS71793 [0,0,0,1,0,0|3,0,0]=4 653 B6R1.2 C1COCC1=O TS01440 [0,0,0,1,0,0|0,1,0]=2 654 B6R1.2 C1COCC1Br TS88092 [0,0,0,1,0,0|1,1,1]=4 655 B6R1.2 C1COCC1Cl TS31737 [0,0,0,1,0,0|1,1,1]=4 656 B6R1.2 C1COCC1I TS86694 [0,0,0,1,0,0|1,1,1]=4 657 B6R1.2 C1COCC1N TS89945 [0,0,0,1,0,0|1,1,1]=4 658 B6R1.2 C1COCC1O TS06712 [0,0,0,1,0,0|0,1,2]=4 659 B6R1.2 C1COCC1O TS59434 [0,0,0,1,0,0|0,1,2]=4 660 B6R1.2 C1COCC1O TS89114 [0,0,0,1,0,0|0,1,2]=4 661 B6R1.2 C1COC[C@@H]1I TS91739 [0,0,0,1,0,0|1,1,1]=4 662 B6R1.2 C1COC[C@@H]1N TS04989 [0,0,0,1,0,0|1,1,1]=4 663 B6R1.2 C1COC[C@@H]1N TS85171 [0,0,0,1,0,0|1,1,1]=4 664 B6R1.2 C1COC[C@@H]1O TS01967 [0,0,0,1,0,0|0,1,2]=4 665 B6R1.2 C1COC[C@H]1I TS88696 [0,0,0,1,0,0|1,1,1]=4 666 B6R1.2 C1COC[C@H]1N TS46680 [0,0,0,1,0,0|1,1,1]=4 667 B6R1.2 C1COC[C@H]1O TS59862 [0,0,0,1,0,0|0,1,2]=4 668 B6R1.2 C1CSC(=O)N1 TS03996 [0,0,0,1,0,0|3,0,0]=4 669 B6R1.2 C1CSCC1=O TS81072 [0,0,0,1,0,0|0,0,0]=1 670 B6R1.2 C1CSCC1Cl TS32541 [0,0,0,1,0,0|1,0,1]=3 671 B6R1.2 C1CSCC1N TS04016 [0,0,0,1,0,0|1,0,1]=3 672 B6R1.2 C1CSCC1O TS31682 [0,0,0,1,0,0|0,0,2]=3 673 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,1,0,0|2,0,1]=4 674 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,1,0,0|2,0,1]=4 675 B6R1.2 CC1CCCC1 TS22155 [0,0,0,1,0,0|2,0,1]=4 676 B6R1.2 CC1CCCC1 TS22325 [0,0,0,1,0,0|2,0,1]=4 677 B6R1.2 CC1CCCC1 TS31194 [0,0,0,1,0,0|2,0,1]=4 678 B6R1.2 CC1CCCC1 TS69413 [0,0,0,1,0,0|2,0,1]=4 679 B6R1.2 CC1CCCC1 TS77214 [0,0,0,1,0,0|2,0,1]=4 680 B6R1.2 CC1CCCC1 TS77590 [0,0,0,1,0,0|2,0,1]=4 681 B6R1.2 CC1CCCN1 TS03512 [0,0,0,1,0,0|2,0,1]=4 682 B6R1.2 CC1CCCO1 TS71748 [0,0,0,1,0,0|1,0,2]=4 683 B6R1.2 CC1CCCS1 TS03982 [0,0,0,1,0,0|1,1,1]=4 684 B6R1.2 CC1CCNC1 TS04878 [0,0,0,1,0,0|2,0,1]=4 685 B6R1.2 CC1CCOC1 TS71755 [0,0,0,1,0,0|1,1,1]=4 686 B6R1.2 CC1CCSC1 TS03984 [0,0,0,1,0,0|1,0,1]=3 687 B6R1.2 CN1CCCC1 TS85196 [0,0,0,1,0,0|2,0,1]=4 688 B6R1.2 C[C@@H]1CCNC1 TS46531 [0,0,0,1,0,0|2,0,1]=4 689 B6R1.2 C[C@H]1CCCN1 TS08127 [0,0,0,1,0,0|2,0,1]=4 690 B6R1.2 C[C@H]1CCCN1 TS59864 [0,0,0,1,0,0|2,0,1]=4 691 B6R1.2 C[C@H]1CCNC1 TS04879 [0,0,0,1,0,0|2,0,1]=4 692 B6R1.3 C1C(O1)CCBr TS08876 [0,0,0,1,0,0|1,1,1]=4 693 B6R1.3 C1CC1CC#N TS03449 [0,0,0,1,0,0|2,0,1]=4 694 B6R1.3 C1CC1CCN TS85780 [0,0,0,1,0,0|2,0,1]=4 695 B6R1.3 C1CC1CCO TS00981 [0,0,0,1,0,0|1,0,2]=4 696 B6R1.3 C1CC1CNN TS90736 [0,0,0,1,0,0|3,0,0]=4 697 B6R1.3 C1[C@@H](O1)CCBr TS40969 [0,0,0,1,0,0|1,1,1]=4 698 B6R1.3 C1[C@H](O1)CCBr TS40971 [0,0,0,1,0,0|1,1,1]=4 699 B6R1.3 CCC[C@H]1CO1 TS71750 [0,0,0,1,0,0|1,0,2]=4 700 B6R1.3 COC[C@@H]1CO1 TS03586 [0,0,0,1,0,0|0,1,2]=4 701 B6R1.3 COC[C@H]1CO1 TS03578 [0,0,0,1,0,0|0,1,2]=4 702 B6R1.3 CSCC1CO1 TS31681 [0,0,0,1,0,0|0,0,2]=3 703 B6R1.6 C1C(CN1)C#N TS04769 [0,0,0,1,0,0|2,0,1]=4 704 B6R1.6 C1C(CN1)CO TS91597 [0,0,0,1,0,0|1,0,2]=4 705 B6R1.6 C1C(CO1)CI TS85854 [0,0,0,1,0,0|1,1,1]=4 706 B6R1.6 C1C(CO1)CN TS89704 [0,0,0,1,0,0|1,1,1]=4 707 B6R1.6 C1C(CO1)CO TS90138 [0,0,0,1,0,0|0,1,2]=4 708 B6R1.6 C1C(CS1)CN TS87824 [0,0,0,1,0,0|1,0,1]=3 709 B6R1.6 C1CC(C1)C#N TS03443 [0,0,0,1,0,0|2,0,1]=4 710 B6R1.6 C1CC(C1)C=O TS03489 [0,0,0,1,0,0|1,0,0]=2 711 B6R1.6 C1CC(C1)CBr TS07532 [0,0,0,1,0,0|2,0,1]=4 712 B6R1.6 C1CC(C1)CN TS89840 [0,0,0,1,0,0|2,0,1]=4 713 B6R1.6 C1CC(C1)CO TS71752 [0,0,0,1,0,0|1,0,2]=4 714 B6R1.6 C1CC(C1)NN TS01400 [0,0,0,1,0,0|3,0,0]=4 715 B6R1.6 C1CC(C1)NN TS03544 [0,0,0,1,0,0|3,0,0]=4 716 B6R1.6 CCC1CCC1 TS71715 [0,0,0,1,0,0|2,0,1]=4 717 B6R1.6 CNC1CNC1 TS03543 [0,0,0,1,0,0|3,0,0]=4 718 B6R1.6 CNC1COC1 TS89249 [0,0,0,1,0,0|2,1,0]=4 719 B6R1.6 COC1CNC1 TS02818 [0,0,0,1,0,0|2,1,0]=4 720 B6R1.6 COC1CSC1 TS31679 [0,0,0,1,0,0|2,0,0]=3 721 B6R1.8 C=C1CC1CO TS03490 [0,0,0,1,0,0|3,0,0]=4 722 B6R1.8 CC1CC1CO TS71767 [0,0,0,1,0,0|1,0,2]=4 723 B6R1.8 CC[C@@H]1C[C@@H]1C TS71712 [0,0,0,1,0,0|2,0,1]=4 724 B3R0.1 C#CC=O TS65569 [2,0,0,0,0,0|0,0,2]=4 725 B3R0.1 C(=O)C=O TS02414 [2,0,0,0,0,0|0,1,1]=4 726 B3R0.1 C(=O)C=O TS73473 [2,0,0,0,0,0|0,1,1]=4 727 B3R0.1 C(=O)NN TS02435 [2,0,0,0,0,0|2,0,0]=4 728 B3R0.1 C(=O)OO TS65600 [2,0,0,0,0,0|1,1,0]=4 729 B3R0.1 C(C=O)Cl TS15061 [2,0,0,0,0,0|1,0,0]=3 730 B3R0.1 C(C=O)Cl TS71651 [2,0,0,0,0,0|1,0,0]=3 731 B3R0.1 C(C=O)O TS02433 [2,0,0,0,0,0|0,1,0]=3 732 B3R0.1 C(CBr)Br TS59882 [2,0,0,0,0,0|2,0,0]=4 733 B3R0.1 C(CBr)Cl TS00022 [2,0,0,0,0,0|2,0,0]=4 734 B3R0.1 C(CBr)F TS46917 [2,0,0,0,0,0|2,0,0]=4 735 B3R0.1 C(CBr)N TS11328 [2,0,0,0,0,0|2,0,0]=4 736 B3R0.1 C(CBr)N TS55165 [2,0,0,0,0,0|2,0,0]=4 737 B3R0.1 C(CBr)O TS55163 [2,0,0,0,0,0|1,0,1]=4 738 B3R0.1 C(CCl)Cl TS31460 [2,0,0,0,0,0|2,0,0]=4 739 B3R0.1 C(CCl)F TS71692 [2,0,0,0,0,0|2,0,0]=4 740 B3R0.1 C(CCl)N TS55277 [2,0,0,0,0,0|2,0,0]=4 741 B3R0.1 C(CCl)O TS00074 [2,0,0,0,0,0|1,0,1]=4 742 B3R0.1 C(CCl)[SiH3] TS31360 [2,0,0,0,0,0|1,1,0]=4 743 B3R0.1 C(CF)F TS02711 [2,0,0,0,0,0|2,0,0]=4 744 B3R0.1 C(CF)N TS31476 [2,0,0,0,0,0|2,0,0]=4 745 B3R0.1 C(CF)O TS01026 [2,0,0,0,0,0|1,0,1]=4 746 B3R0.1 C(CI)Cl TS51200 [2,0,0,0,0,0|2,0,0]=4 747 B3R0.1 C(CI)F TS45712 [2,0,0,0,0,0|2,0,0]=4 748 B3R0.1 C(CI)I TS93956 [2,0,0,0,0,0|2,0,0]=4 749 B3R0.1 C(CI)O TS13090 [2,0,0,0,0,0|1,0,1]=4 750 B3R0.1 C(CN)N TS03440 [2,0,0,0,0,0|2,0,0]=4 751 B3R0.1 C(CN)N TS03650 [2,0,0,0,0,0|2,0,0]=4 752 B3R0.1 C(CN)N TS05804 [2,0,0,0,0,0|2,0,0]=4 753 B3R0.1 C(CN)N TS22305 [2,0,0,0,0,0|2,0,0]=4 754 B3R0.1 C(CN)N TS26096 [2,0,0,0,0,0|2,0,0]=4 755 B3R0.1 C(CN)N TS65589 [2,0,0,0,0,0|2,0,0]=4 756 B3R0.1 C(CN)N TS70395 [2,0,0,0,0,0|2,0,0]=4 757 B3R0.1 C(CN)N TS76811 [2,0,0,0,0,0|2,0,0]=4 758 B3R0.1 C(CN)N TS79362 [2,0,0,0,0,0|2,0,0]=4 759 B3R0.1 C(CN)[NH3+] TS03740 [2,0,0,0,0,0|2,0,0]=4 760 B3R0.1 C(CO)N TS08649 [2,0,0,0,0,0|1,0,1]=4 761 B3R0.1 C(CO)N TS31412 [2,0,0,0,0,0|1,0,1]=4 762 B3R0.1 C(CO)N TS31567 [2,0,0,0,0,0|1,0,1]=4 763 B3R0.1 C(CO)N TS93285 [2,0,0,0,0,0|1,0,1]=4 764 B3R0.1 C(CO)O TS02439 [2,0,0,0,0,0|0,1,1]=4 765 B3R0.1 C(CP)O TS03426 [2,0,0,0,0,0|1,0,1]=4 766 B3R0.1 C(CP)P TS03658 [2,0,0,0,0,0|2,0,0]=4 767 B3R0.1 C(CS)N TS03420 [2,0,0,0,0,0|1,0,0]=3 768 B3R0.1 C(CS)N TS39644 [2,0,0,0,0,0|1,0,0]=3 769 B3R0.1 C(CS)O TS71649 [2,0,0,0,0,0|0,0,1]=3 770 B3R0.1 C(CS)S TS74490 [2,0,0,0,0,0|0,1,0]=3 771 B3R0.1 C(C[O-])O TS70846 [2,0,0,0,0,0|0,1,1]=4 772 B3R0.1 C(C[SiH3])[SiH3] TS03631 [2,0,0,0,0,0|0,2,0]=4 773 B3R0.1 C=CC=O TS33215 [2,0,0,0,0,0|0,0,2]=4 774 B3R0.1 C=CCBr TS39710 [2,0,0,0,0,0|1,0,1]=4 775 B3R0.1 C=CCCl TS03413 [2,0,0,0,0,0|1,0,1]=4 776 B3R0.1 C=CCF TS65583 [2,0,0,0,0,0|1,0,1]=4 777 B3R0.1 C=CCI TS93895 [2,0,0,0,0,0|1,0,1]=4 778 B3R0.1 C=CCN TS01644 [2,0,0,0,0,0|1,0,1]=4 779 B3R0.1 C=CCO TS02418 [2,0,0,0,0,0|0,1,1]=4 780 B3R0.1 C=CCS TS71619 [2,0,0,0,0,0|0,0,1]=3 781 B3R0.1 CC=C=C TS65572 [2,0,0,0,0,0|0,0,2]=4 782 B3R0.1 CC=CBr TS00041 [2,0,0,0,0,0|1,0,1]=4 783 B3R0.1 CC=CCl TS03412 [2,0,0,0,0,0|1,0,1]=4 784 B3R0.1 CC=CCl TS03414 [2,0,0,0,0,0|1,0,1]=4 785 B3R0.1 CCC#C TS65570 [2,0,0,0,0,0|0,0,2]=4 786 B3R0.1 CCC#N TS65577 [2,0,0,0,0,0|1,0,1]=4 787 B3R0.1 CCC=C TS02407 [2,0,0,0,0,0|0,0,1]=3 788 B3R0.1 CCC=O TS02416 [2,0,0,0,0,0|0,0,0]=2 789 B3R0.1 CCC=S TS71851 [2,0,0,0,0,0|0,1,0]=3 790 B3R0.1 CCCBr TS00040 [2,0,0,0,0,0|1,0,0]=3 791 B3R0.1 CCCCl TS71653 [2,0,0,0,0,0|1,0,0]=3 792 B3R0.1 CCCF TS65692 [2,0,0,0,0,0|1,0,0]=3 793 B3R0.1 CCCI TS45076 [2,0,0,0,0,0|1,0,0]=3 794 B3R0.1 CCCN TS02429 [2,0,0,0,0,0|1,0,0]=3 795 B3R0.1 CCCN TS03705 [2,0,0,0,0,0|1,0,0]=3 796 B3R0.1 CCCS TS03410 [2,0,0,0,0,0|0,0,1]=3 797 B3R0.1 CCC[O-] TS03458 [2,0,0,0,0,0|0,0,1]=3 798 B3R0.1 CCC[O-] TS37676 [2,0,0,0,0,0|0,0,1]=3 799 B3R0.1 CCC[O-] TS56091 [2,0,0,0,0,0|0,0,1]=3 800 B3R0.1 CCC[S-] TS03782 [2,0,0,0,0,0|0,1,0]=3 801 B3R0.1 CCNC TS03706 [2,0,0,0,0,0|1,0,0]=3 802 B3R0.1 CCNC TS16623 [2,0,0,0,0,0|1,0,0]=3 803 B3R0.1 CCNO TS64941 [2,0,0,0,0,0|1,0,1]=4 804 B3R0.1 CCOC TS65588 [2,0,0,0,0,0|0,1,0]=3 805 B3R0.1 CCON TS31411 [2,0,0,0,0,0|1,1,0]=4 806 B3R0.1 CCSC TS71648 [2,0,0,0,0,0|0,0,0]=2 807 B3R0.1 CC[Hg]Cl TS30124 [2,0,0,0,0,0|2,0,0]=4 808 B3R0.1 CC[Mg]Br TS36790 [2,0,0,0,0,0|2,0,0]=4 809 B3R0.1 CC[Mg]I TS93021 [2,0,0,0,0,0|2,0,0]=4 810 B3R0.1 CNC=O TS39915 [2,0,0,0,0,0|1,0,0]=3 811 B3R0.1 CNNC TS05803 [2,0,0,0,0,0|2,0,0]=4 812 B3R0.1 CNNC TS65590 [2,0,0,0,0,0|2,0,0]=4 813 B3R0.1 CNOC TS01578 [2,0,0,0,0,0|1,1,0]=4 814 B3R0.1 COC=C TS02419 [2,0,0,0,0,0|0,1,1]=4 815 B3R0.1 COC=O TS02434 [2,0,0,0,0,0|0,1,0]=3 816 B3R0.1 COCBr TS36040 [2,0,0,0,0,0|1,1,0]=4 817 B3R0.1 COCCl TS56228 [2,0,0,0,0,0|1,1,0]=4 818 B3R0.1 COCI TS13091 [2,0,0,0,0,0|1,1,0]=4 819 B3R0.1 CSC#N TS03380 [2,0,0,0,0,0|1,0,1]=4 820 B3R0.1 CSSC TS34583 [2,0,0,0,0,0|1,0,0]=3 821 B3R0.1 C[Se][Se]C TS15888 [2,0,0,0,0,0|1,1,0]=4 822 B3R0.1 C[SiH2]C[SiH3] TS03630 [2,0,0,0,0,0|0,2,0]=4 823 B5R0.1 B(CCC)(O)O TS59317 [1,1,0,0,0,0|1,0,1]=4 824 B5R0.1 C#CCC(=O)O TS03477 [1,1,0,0,0,0|0,0,2]=4 825 B5R0.1 C(C#N)C(=O)N TS00078 [1,1,0,0,0,0|1,0,1]=4 826 B5R0.1 C(C#N)C(=O)O TS71730 [1,1,0,0,0,0|1,0,1]=4 827 B5R0.1 C(CBr)C(=N)N TS40973 [1,1,0,0,0,0|2,0,0]=4 828 B5R0.1 C(CBr)C(=O)N TS10109 [1,1,0,0,0,0|1,0,0]=3 829 B5R0.1 C(CBr)C(=O)O TS09493 [1,1,0,0,0,0|1,0,0]=3 830 B5R0.1 C(CCl)C(=O)Cl TS00146 [1,1,0,0,0,0|1,0,0]=3 831 B5R0.1 C(CCl)C(=O)N TS04118 [1,1,0,0,0,0|1,0,0]=3 832 B5R0.1 C(CCl)C(=O)O TS04159 [1,1,0,0,0,0|1,0,0]=3 833 B5R0.1 C(CI)C(=O)O TS18918 [1,1,0,0,0,0|1,0,0]=3 834 B5R0.1 C(CN)C(=O)N TS36032 [1,1,0,0,0,0|1,0,0]=3 835 B5R0.1 C(CN)C(=O)O TS02667 [1,1,0,0,0,0|1,0,0]=3 836 B5R0.1 C(CO)C(=O)O TS16373 [1,1,0,0,0,0|0,1,0]=3 837 B5R0.1 C(CO)[N+](=O)[O-] TS01787 [1,1,0,0,0,0|1,1,0]=4 838 B5R0.1 C(CP(=O)O)N TS94065 [1,1,0,0,0,0|2,0,0]=4 839 B5R0.1 C(CS(=O)O)N TS31804 [1,1,0,0,0,0|2,0,0]=4 840 B5R0.1 C(CS)C(=O)O TS04091 [1,1,0,0,0,0|0,0,0]=2 841 B5R0.1 C(OC(=O)Cl)Cl TS36381 [1,1,0,0,0,0|2,0,0]=4 842 B5R0.1 C(SC(=O)N)Cl TS36084 [1,1,0,0,0,0|2,0,0]=4 843 B5R0.1 C=C(CCO)Br TS40970 [1,1,0,0,0,0|1,1,0]=4 844 B5R0.1 C=CCC(=O)O TS03525 [1,1,0,0,0,0|0,0,2]=4 845 B5R0.1 CC#CC(=O)O TS55183 [1,1,0,0,0,0|0,0,2]=4 846 B5R0.1 CC(=C)CCO TS71766 [1,1,0,0,0,0|1,0,1]=4 847 B5R0.1 CC(=CC=O)C TS03497 [1,1,0,0,0,0|0,0,2]=4 848 B5R0.1 CC(=CCS)C TS03985 [1,1,0,0,0,0|1,0,1]=4 849 B5R0.1 CC(=O)CC#N TS04063 [1,1,0,0,0,0|1,0,1]=4 850 B5R0.1 CC(=O)CCO TS39752 [1,1,0,0,0,0|0,1,0]=3 851 B5R0.1 CC(=O)CCS TS31678 [1,1,0,0,0,0|0,0,0]=2 852 B5R0.1 CC(=O)COC TS03573 [1,1,0,0,0,0|0,1,0]=3 853 B5R0.1 CC(=O)CSC TS31685 [1,1,0,0,0,0|0,0,0]=2 854 B5R0.1 CC(=O)NCO TS08902 [1,1,0,0,0,0|1,1,0]=4 855 B5R0.1 CC(=O)NSC TS31708 [1,1,0,0,0,0|1,0,0]=3 856 B5R0.1 CC(=O)OC=O TS71794 [1,1,0,0,0,0|1,0,1]=4 857 B5R0.1 CC(=O)OCBr TS16534 [1,1,0,0,0,0|2,0,0]=4 858 B5R0.1 CC(=O)OCCl TS55809 [1,1,0,0,0,0|2,0,0]=4 859 B5R0.1 CC(=O)O[Hg]C TS30965 [1,1,0,0,0,0|2,0,0]=4 860 B5R0.1 CC(C)CC#C TS03469 [1,1,0,0,0,0|1,0,1]=4 861 B5R0.1 CC(C)CC#N TS71700 [1,1,0,0,0,0|1,0,1]=4 862 B5R0.1 CC(C)CC=O TS71746 [1,1,0,0,0,0|0,0,0]=2 863 B5R0.1 CC(C)CCBr TS09985 [1,1,0,0,0,0|1,0,1]=4 864 B5R0.1 CC(C)CCCl TS31743 [1,1,0,0,0,0|1,0,1]=4 865 B5R0.1 CC(C)CCI TS18548 [1,1,0,0,0,0|1,0,1]=4 866 B5R0.1 CC(C)CCN TS71773 [1,1,0,0,0,0|1,0,1]=4 867 B5R0.1 CC(C)CCO TS71804 [1,1,0,0,0,0|0,0,2]=4 868 B5R0.1 CC(C)CCS TS31696 [1,1,0,0,0,0|0,1,1]=4 869 B5R0.1 CC(C)CC[Zn+] TS49167 [1,1,0,0,0,0|1,0,1]=4 870 B5R0.1 CC(C)CNC TS01600 [1,1,0,0,0,0|1,0,1]=4 871 B5R0.1 CC(C)CNN TS04103 [1,1,0,0,0,0|2,0,0]=4 872 B5R0.1 CC(C)CON TS36090 [1,1,0,0,0,0|2,0,0]=4 873 B5R0.1 CC(C)CSC TS31693 [1,1,0,0,0,0|0,0,1]=3 874 B5R0.1 CC(C)N=C=O TS71736 [1,1,0,0,0,0|1,0,1]=4 875 B5R0.1 CC(C)OC=C TS03534 [1,1,0,0,0,0|2,0,0]=4 876 B5R0.1 CC(C)OC=O TS03580 [1,1,0,0,0,0|1,0,0]=3 877 B5R0.1 CC(C)ON=O TS71823 [1,1,0,0,0,0|2,0,0]=4 878 B5R0.1 CC(CC#C)O TS03487 [1,1,0,0,0,0|1,0,1]=4 879 B5R0.1 CC(CC#N)Br TS40583 [1,1,0,0,0,0|1,0,1]=4 880 B5R0.1 CC(CC=C)O TS71743 [1,1,0,0,0,0|1,0,0]=3 881 B5R0.1 CC(CC=O)O TS03574 [1,1,0,0,0,0|0,0,0]=2 882 B5R0.1 CC(CCBr)Br TS21967 [1,1,0,0,0,0|1,0,1]=4 883 B5R0.1 CC(CCN)O TS02231 [1,1,0,0,0,0|1,0,1]=4 884 B5R0.1 CC(CCO)N TS60329 [1,1,0,0,0,0|0,0,2]=4 885 B5R0.1 CC(CCO)O TS71832 [1,1,0,0,0,0|0,0,2]=4 886 B5R0.1 CC(CCS)S TS04931 [1,1,0,0,0,0|0,1,1]=4 887 B5R0.1 CC(COC)N TS03608 [1,1,0,0,0,0|0,1,1]=4 888 B5R0.1 CC(COC)O TS71841 [1,1,0,0,0,0|0,1,1]=4 889 B5R0.1 CC=CC(=O)C TS03499 [1,1,0,0,0,0|0,0,2]=4 890 B5R0.1 CC=CC(=O)Cl TS04051 [1,1,0,0,0,0|0,0,2]=4 891 B5R0.1 CC=CC(=O)N TS03508 [1,1,0,0,0,0|0,0,2]=4 892 B5R0.1 CC=CC(=O)O TS03526 [1,1,0,0,0,0|0,0,2]=4 893 B5R0.1 CC=CC(=O)[O-] TS05036 [1,1,0,0,0,0|0,0,2]=4 894 B5R0.1 CC=CC(C)C TS71719 [1,1,0,0,0,0|1,0,1]=4 895 B5R0.1 CC=CC(C)O TS71747 [1,1,0,0,0,0|1,0,1]=4 896 B5R0.1 CCC=C(C)C TS71718 [1,1,0,0,0,0|1,0,1]=4 897 B5R0.1 CCC=C(F)F TS03652 [1,1,0,0,0,0|1,0,1]=4 898 B5R0.1 CCCC(=C)C TS71722 [1,1,0,0,0,0|1,0,0]=3 899 B5R0.1 CCCC(=N)N TS03542 [1,1,0,0,0,0|1,0,0]=3 900 B5R0.1 CCCC(=N)N TS04952 [1,1,0,0,0,0|1,0,0]=3 901 B5R0.1 CCCC(=O)Br TS40964 [1,1,0,0,0,0|0,0,0]=2 902 B5R0.1 CCCC(=O)C TS71754 [1,1,0,0,0,0|0,0,0]=2 903 B5R0.1 CCCC(=O)Cl TS16539 [1,1,0,0,0,0|0,0,0]=2 904 B5R0.1 CCCC(=O)N TS03561 [1,1,0,0,0,0|0,0,0]=2 905 B5R0.1 CCCC(=O)O TS03572 [1,1,0,0,0,0|0,0,0]=2 906 B5R0.1 CCCC(=O)O TS63934 [1,1,0,0,0,0|0,0,0]=2 907 B5R0.1 CCCC(=O)[O-] TS04184 [1,1,0,0,0,0|0,0,0]=2 908 B5R0.1 CCCC(=O)[O-] TS04232 [1,1,0,0,0,0|0,0,0]=2 909 B5R0.1 CCCC(=O)[O-] TS44539 [1,1,0,0,0,0|0,0,0]=2 910 B5R0.1 CCCC(=S)Cl TS37257 [1,1,0,0,0,0|0,1,0]=3 911 B5R0.1 CCCC(=S)O TS04825 [1,1,0,0,0,0|0,0,1]=3 912 B5R0.1 CCCC(C)Br TS09989 [1,1,0,0,0,0|1,0,1]=4 913 B5R0.1 CCCC(C)Cl TS31741 [1,1,0,0,0,0|1,0,1]=4 914 B5R0.1 CCCC(C)I TS18550 [1,1,0,0,0,0|1,0,1]=4 915 B5R0.1 CCCC(C)O TS03596 [1,1,0,0,0,0|0,0,2]=4 916 B5R0.1 CCCC(C)S TS31692 [1,1,0,0,0,0|0,1,1]=4 917 B5R0.1 CCCC(C)[Zn+] TS49166 [1,1,0,0,0,0|1,0,1]=4 918 B5R0.1 CCCC(Cl)Cl TS36206 [1,1,0,0,0,0|1,0,1]=4 919 B5R0.1 CCCN(C)C TS71775 [1,1,0,0,0,0|1,0,1]=4 920 B5R0.1 CCCP(Cl)Cl TS07061 [1,1,0,0,0,0|2,0,0]=4 921 B5R0.1 CCC[C@@H](C)O TS71801 [1,1,0,0,0,0|0,0,2]=4 922 B5R0.1 CCC[C@H](C)O TS71800 [1,1,0,0,0,0|0,0,2]=4 923 B5R0.1 CCC[N+](=O)[O-] TS71821 [1,1,0,0,0,0|1,0,0]=3 924 B5R0.1 CCNC(=N)N TS04994 [1,1,0,0,0,0|2,0,0]=4 925 B5R0.1 CCNC(=O)C TS03563 [1,1,0,0,0,0|1,0,0]=3 926 B5R0.1 CCNC(=O)N TS03591 [1,1,0,0,0,0|1,0,0]=3 927 B5R0.1 CCNC(=S)N TS31687 [1,1,0,0,0,0|1,1,0]=4 928 B5R0.1 CCNC(=[NH2+])N TS56393 [1,1,0,0,0,0|2,0,0]=4 929 B5R0.1 CCOC(=C)C TS71753 [1,1,0,0,0,0|2,0,0]=4 930 B5R0.1 CCOC(=O)C TS03585 [1,1,0,0,0,0|1,0,0]=3 931 B5R0.1 CCOC(=O)C TS03625 [1,1,0,0,0,0|1,0,0]=3 932 B5R0.1 CCOC(=O)C TS71827 [1,1,0,0,0,0|1,0,0]=3 933 B5R0.1 CCOC(=O)Cl TS56143 [1,1,0,0,0,0|1,0,0]=3 934 B5R0.1 CCOC(=O)N TS59479 [1,1,0,0,0,0|1,0,0]=3 935 B5R0.1 CCOC(=S)C TS31684 [1,1,0,0,0,0|1,1,0]=4 936 B5R0.1 CCOC(=S)Cl TS36034 [1,1,0,0,0,0|1,1,0]=4 937 B5R0.1 CCSC(=S)C TS32440 [1,1,0,0,0,0|1,1,0]=4 938 B5R0.1 CN(C)CC=C TS56352 [1,1,0,0,0,0|1,0,1]=4 939 B5R0.1 CN(C)CCBr TS25321 [1,1,0,0,0,0|2,0,0]=4 940 B5R0.1 CN(C)CCN TS00990 [1,1,0,0,0,0|2,0,0]=4 941 B5R0.1 CN(C)CCO TS03600 [1,1,0,0,0,0|1,0,1]=4 942 B5R0.1 CN(C)CCS TS31711 [1,1,0,0,0,0|1,1,0]=4 943 B5R0.1 CN(C)CCS TS37538 [1,1,0,0,0,0|1,1,0]=4 944 B5R0.1 CN(C)CCS TS37540 [1,1,0,0,0,0|1,1,0]=4 945 B5R0.1 CNCC(=O)N TS36031 [1,1,0,0,0,0|1,0,0]=3 946 B5R0.1 CNCC(=O)O TS34582 [1,1,0,0,0,0|1,0,0]=3 947 B5R0.1 CNCC(=O)O TS36080 [1,1,0,0,0,0|1,0,0]=3 948 B5R0.1 CNCC(=O)[O-] TS04231 [1,1,0,0,0,0|1,0,0]=3 949 B5R0.1 COCC(=N)N TS36030 [1,1,0,0,0,0|1,1,0]=4 950 B5R0.1 COCC(=O)O TS03620 [1,1,0,0,0,0|0,1,0]=3 951 B5R0.1 CSCC(=N)N TS31686 [1,1,0,0,0,0|1,0,0]=3 952 B5R0.1 CSCC(=O)N TS93570 [1,1,0,0,0,0|0,0,0]=2 953 B5R0.1 CSCS(=O)C TS05065 [1,1,0,0,0,0|1,0,0]=3 954 B5R0.1 C[C@@H](CC#N)O TS71734 [1,1,0,0,0,0|1,0,1]=4 955 B5R0.1 C[C@@H](CCO)O TS71843 [1,1,0,0,0,0|0,0,2]=4 956 B5R0.1 C[C@@H](COC)N TS03602 [1,1,0,0,0,0|0,1,1]=4 957 B5R0.1 C[C@@H](COC)O TS71834 [1,1,0,0,0,0|0,1,1]=4 958 B5R0.1 C[C@H](CC#N)O TS03507 [1,1,0,0,0,0|1,0,1]=4 959 B5R0.1 C[C@H](CC=C)O TS03535 [1,1,0,0,0,0|1,0,0]=3 960 B5R0.1 C[C@H](CCO)N TS93947 [1,1,0,0,0,0|0,0,2]=4 961 B5R0.1 C[C@H](CCO)O TS71835 [1,1,0,0,0,0|0,0,2]=4 962 B5R0.1 C[C@H](COC)O TS00301 [1,1,0,0,0,0|0,1,1]=4 963 B5R0.1 C[SiH](C)CC=C TS03888 [1,1,0,0,0,0|1,0,1]=4 964 B5R0.3 C(=O)C(C=O)Br TS00849 [1,1,0,0,0,0|0,1,1]=4 965 B5R0.3 C(=O)C(C=O)Cl TS31730 [1,1,0,0,0,0|0,1,1]=4 966 B5R0.3 C(=O)C(C=O)F TS03615 [1,1,0,0,0,0|0,1,1]=4 967 B5R0.3 C(C(C=O)O)O TS47844 [1,1,0,0,0,0|0,1,0]=3 968 B5R0.3 C(C(CS)O)O TS31781 [1,1,0,0,0,0|0,0,2]=4 969 B5R0.3 C(C(CS)S)O TS47162 [1,1,0,0,0,0|0,0,2]=4 970 B5R0.3 C([C@@H](C=O)O)O TS03618 [1,1,0,0,0,0|0,1,0]=3 971 B5R0.3 C([C@@H](C=O)O)O TS08118 [1,1,0,0,0,0|0,1,0]=3 972 B5R0.3 C([C@H](C=O)O)O TS07853 [1,1,0,0,0,0|0,1,0]=3 973 B5R0.3 C=CC(CBr)O TS40965 [1,1,0,0,0,0|2,0,0]=4 974 B5R0.3 C=CC(CO)O TS03577 [1,1,0,0,0,0|1,1,0]=4 975 B5R0.3 C=C[C@@H](CO)N TS04992 [1,1,0,0,0,0|1,1,0]=4 976 B5R0.3 C=C[C@@H](CO)O TS03582 [1,1,0,0,0,0|1,1,0]=4 977 B5R0.3 C=C[C@H](CO)N TS04990 [1,1,0,0,0,0|1,1,0]=4 978 B5R0.3 C=C[C@H](CO)O TS03583 [1,1,0,0,0,0|1,1,0]=4 979 B5R0.3 CC(CO)C=C TS71745 [1,1,0,0,0,0|1,1,0]=4 980 B5R0.3 CC=C(C)C=O TS03488 [1,1,0,0,0,0|0,0,2]=4 981 B5R0.3 CC=C(C=O)Cl TS04052 [1,1,0,0,0,0|0,0,2]=4 982 B5R0.3 CCC(=C)C=C TS71686 [1,1,0,0,0,0|1,0,1]=4 983 B5R0.3 CCC(=O)C=C TS03496 [1,1,0,0,0,0|1,0,1]=4 984 B5R0.3 CCC(=O)C=O TS03524 [1,1,0,0,0,0|0,0,1]=3 985 B5R0.3 CCC(C#C)O TS03494 [1,1,0,0,0,0|1,0,1]=4 986 B5R0.3 CCC(C#N)O TS03503 [1,1,0,0,0,0|1,0,1]=4 987 B5R0.3 CCC(C)C#C TS03468 [1,1,0,0,0,0|1,0,1]=4 988 B5R0.3 CCC(C)C=O TS03536 [1,1,0,0,0,0|0,0,0]=2 989 B5R0.3 CCC(C)CBr TS09987 [1,1,0,0,0,0|1,0,1]=4 990 B5R0.3 CCC(C)CC TS03546 [1,1,0,0,0,0|1,0,1]=4 991 B5R0.3 CCC(C)CCl TS31746 [1,1,0,0,0,0|1,0,1]=4 992 B5R0.3 CCC(C)CI TS18546 [1,1,0,0,0,0|1,0,1]=4 993 B5R0.3 CCC(C)CN TS71788 [1,1,0,0,0,0|1,0,1]=4 994 B5R0.3 CCC(C)CO TS03593 [1,1,0,0,0,0|0,0,2]=4 995 B5R0.3 CCC(C)CS TS31698 [1,1,0,0,0,0|0,1,1]=4 996 B5R0.3 CCC(C)NC TS04995 [1,1,0,0,0,0|1,0,1]=4 997 B5R0.3 CCC(C)NC TS71785 [1,1,0,0,0,0|1,0,1]=4 998 B5R0.3 CCC(C)OC TS71803 [1,1,0,0,0,0|0,1,1]=4 999 B5R0.3 CCC(C)ON TS36089 [1,1,0,0,0,0|2,0,0]=4 1000 B5R0.3 CCC(C)SC TS31697 [1,1,0,0,0,0|0,0,1]=3 1001 B5R0.3 CCC(C)[Mg]Br TS11456 [1,1,0,0,0,0|2,0,0]=4 1002 B5R0.3 CCC(C)[Mg]Cl TS32262 [1,1,0,0,0,0|2,0,0]=4 1003 B5R0.3 CCC(C=C)O TS71760 [1,1,0,0,0,0|1,0,0]=3 1004 B5R0.3 CCC(CBr)Br TS21966 [1,1,0,0,0,0|1,0,1]=4 1005 B5R0.3 CCC(CBr)Cl TS13062 [1,1,0,0,0,0|1,0,1]=4 1006 B5R0.3 CCC(CBr)O TS10270 [1,1,0,0,0,0|1,0,1]=4 1007 B5R0.3 CCC(CC)Br TS09988 [1,1,0,0,0,0|1,0,1]=4 1008 B5R0.3 CCC(CC)Cl TS31745 [1,1,0,0,0,0|1,0,1]=4 1009 B5R0.3 CCC(CC)F TS71849 [1,1,0,0,0,0|1,0,1]=4 1010 B5R0.3 CCC(CC)I TS18549 [1,1,0,0,0,0|1,0,1]=4 1011 B5R0.3 CCC(CC)N TS00440 [1,1,0,0,0,0|1,0,1]=4 1012 B5R0.3 CCC(CC)O TS00239 [1,1,0,0,0,0|1,0,1]=4 1013 B5R0.3 CCC(CC)[Zn+] TS49169 [1,1,0,0,0,0|1,0,1]=4 1014 B5R0.3 CCC(CCl)Cl TS36203 [1,1,0,0,0,0|1,0,1]=4 1015 B5R0.3 CCC(CN)N TS71807 [1,1,0,0,0,0|1,0,1]=4 1016 B5R0.3 CCC(CN)O TS03604 [1,1,0,0,0,0|1,0,1]=4 1017 B5R0.3 CCC(CO)N TS03601 [1,1,0,0,0,0|0,0,2]=4 1018 B5R0.3 CCC(CS)S TS04932 [1,1,0,0,0,0|0,1,1]=4 1019 B5R0.3 CCN(C)N=O TS03588 [1,1,0,0,0,0|2,0,0]=4 1020 B5R0.3 CC[C@@H](CO)O TS71836 [1,1,0,0,0,0|0,0,2]=4 1021 B5R0.3 CC[C@H](C)C#N TS71705 [1,1,0,0,0,0|1,0,1]=4 1022 B5R0.3 CC[C@H](C)CBr TS39655 [1,1,0,0,0,0|1,0,1]=4 1023 B5R0.3 CC[C@H](C)CCl TS31744 [1,1,0,0,0,0|1,0,1]=4 1024 B5R0.3 CC[C@H](CO)N TS03605 [1,1,0,0,0,0|0,0,2]=4 1025 B5R0.3 CC[C@H](CO)O TS71838 [1,1,0,0,0,0|0,0,2]=4 1026 B5R0.3 COC(=O)C=O TS65230 [1,1,0,0,0,0|0,1,1]=4 1027 B7R0.2 C(C(CN)N)C(=O)O TS32339 [0,2,0,0,0,0|2,0,0]=4 1028 B7R0.2 C([C@@H](CN)N)C(=O)O TS08133 [0,2,0,0,0,0|2,0,0]=4 1029 B7R0.2 C([C@@H](CO)N)C(=O)O TS32376 [0,2,0,0,0,0|2,0,0]=4 1030 B7R0.2 C([C@H](CN)N)C(=O)O TS08078 [0,2,0,0,0,0|2,0,0]=4 1031 B7R0.2 C([C@H](CN)O)C(=O)O TS32382 [0,2,0,0,0,0|2,0,0]=4 1032 B7R0.2 C([C@H](CO)N)C(=O)O TS74514 [0,2,0,0,0,0|2,0,0]=4 1033 B7R0.2 CC(=O)CC(=O)NC TS04520 [0,2,0,0,0,0|1,0,1]=4 1034 B7R0.2 CC(=O)CC(=O)OC TS32187 [0,2,0,0,0,0|0,1,1]=4 1035 B7R0.2 CC(C)CC(C)C=C TS04359 [0,2,0,0,0,0|2,0,0]=4 1036 B7R0.2 CCC(=O)CC(=O)C TS00653 [0,2,0,0,0,0|1,0,1]=4 1037 B7R0.2 CCC(C)CC(=C)C TS04345 [0,2,0,0,0,0|2,0,0]=4 1038 B7R0.2 CCC(C)CC(=O)C TS04467 [0,2,0,0,0,0|1,0,0]=3 1039 B7R0.2 CCC(C)CC(=O)Cl TS05950 [0,2,0,0,0,0|1,0,0]=3 1040 B7R0.2 CCC(C)CC(=O)O TS04597 [0,2,0,0,0,0|1,0,0]=3 1041 B7R0.2 CCC(C)NC(=O)N TS04603 [0,2,0,0,0,0|2,0,0]=4 1042 B7R0.2 CCC(C)OC(=O)C TS32210 [0,2,0,0,0,0|2,0,0]=4 1043 B7R0.2 CCC(C)OC(=O)Cl TS06133 [0,2,0,0,0,0|2,0,0]=4 1044 B7R0.2 CCC(CC(=C)C)O TS32110 [0,2,0,0,0,0|2,0,0]=4 1045 B7R0.2 CCC(CC(=O)O)N TS04672 [0,2,0,0,0,0|1,0,0]=3 1046 B7R0.2 CCC(CC(=O)O)O TS32318 [0,2,0,0,0,0|1,0,0]=3 1047 B7R0.2 CC[C@@H](C)CC(=O)O TS04583 [0,2,0,0,0,0|1,0,0]=3 1048 B7R0.2 CC[C@@H](CC(=O)O)N TS32279 [0,2,0,0,0,0|1,0,0]=3 1049 B7R0.2 CC[C@H](C)CC(=O)O TS04594 [0,2,0,0,0,0|1,0,0]=3 1050 B7R0.2 CC[C@H](CC(=O)O)N TS04666 [0,2,0,0,0,0|1,0,0]=3 1051 B7R0.2 COC(=O)CC(=O)[O-] TS04695 [0,2,0,0,0,0|0,1,1]=4 1052 B7R0.3 C(CC(=O)NN)CO TS32340 [0,2,0,0,0,0|2,0,0]=4 1053 B7R0.3 C=CCCC(CBr)Br TS26768 [0,2,0,0,0,0|2,0,0]=4 1054 B7R0.3 CC=CCC(C)C=C TS31844 [0,2,0,0,0,0|2,0,0]=4 1055 B7R0.3 CCC(C)CC=CC TS31972 [0,2,0,0,0,0|2,0,0]=4 1056 B7R0.3 CCC(C)SCC=C TS05618 [0,2,0,0,0,0|2,0,0]=4 1057 B7R0.3 CCC(C=CC=O)O TS04431 [0,2,0,0,0,0|1,0,1]=4 1058 B7R0.3 CCC(CCC=C)O TS32091 [0,2,0,0,0,0|2,0,0]=4 1059 B7R0.3 CCCCC(=C)CC TS04366 [0,2,0,0,0,0|2,0,0]=4 1060 B7R0.3 CCCCC(=CC)C TS04336 [0,2,0,0,0,0|2,0,0]=4 1061 B7R0.3 CCCCC(=NO)C TS04540 [0,2,0,0,0,0|1,0,1]=4 1062 B7R0.3 CCCCC(=O)CC TS04462 [0,2,0,0,0,0|1,0,0]=3 1063 B7R0.3 CCCCC(=O)NC TS32169 [0,2,0,0,0,0|1,0,0]=3 1064 B7R0.3 CCCCC(=O)NN TS04606 [0,2,0,0,0,0|1,0,0]=3 1065 B7R0.3 CCCCC(=O)OC TS32226 [0,2,0,0,0,0|1,0,0]=3 1066 B7R0.3 CCCCC(C=C)O TS04474 [0,2,0,0,0,0|2,0,0]=4 1067 B7R0.3 CCCCN(C)N=O TS04602 [0,2,0,0,0,0|2,0,0]=4 1068 B7R0.3 CCCOC(=O)C=C TS04429 [0,2,0,0,0,0|2,0,0]=4 1069 B7R0.3 CCCOC(=O)CCl TS06137 [0,2,0,0,0,0|2,0,0]=4 1070 B7R0.3 CCCOC(=O)CN TS41315 [0,2,0,0,0,0|2,0,0]=4 1071 B7R0.3 CCCOC(=O)OC TS32321 [0,2,0,0,0,0|2,0,0]=4 1072 B7R0.3 CCCSC(=O)CC TS05773 [0,2,0,0,0,0|2,0,0]=4 1073 B7R0.3 CCSCC(CO)O TS06111 [0,2,0,0,0,0|0,0,2]=4 1074 B7R0.3 CN(CCC=O)N=O TS32197 [0,2,0,0,0,0|1,0,0]=3 1075 B7R0.3 COC(=O)CCC#N TS02730 [0,2,0,0,0,0|2,0,0]=4 1076 B7R0.3 COC(=O)CCC=O TS02246 [0,2,0,0,0,0|0,1,0]=3 1077 B7R0.3 COC(=O)CCCBr TS09599 [0,2,0,0,0,0|2,0,0]=4 1078 B7R0.3 COC(=O)CCCCl TS06131 [0,2,0,0,0,0|2,0,0]=4 1079 B7R0.3 COC(=O)CCCI TS52575 [0,2,0,0,0,0|2,0,0]=4 1080 B7R0.3 COC(=O)CCCN TS41316 [0,2,0,0,0,0|2,0,0]=4 1081 B7R0.3 COC(=O)CCSC TS05919 [0,2,0,0,0,0|0,0,0]=2 1082 B7R0.3 COC(=O)CNC=O TS32271 [0,2,0,0,0,0|0,1,1]=4 1083 B7R0.3 COCCC(=O)NN TS32330 [0,2,0,0,0,0|0,1,0]=3 1084 B7R0.3 COCCC(=O)OC TS32322 [0,2,0,0,0,0|0,1,0]=3 1085 B7R0.3 CSCCC(CO)N TS06018 [0,2,0,0,0,0|0,0,2]=4 1086 B7R0.3 CSCC[C@@H](CO)N TS07679 [0,2,0,0,0,0|0,0,2]=4 1087 B7R0.3 CSCC[C@H](CO)N TS22806 [0,2,0,0,0,0|0,0,2]=4 1088 B7R0.5 C#CCC(C(=O)O)N TS04373 [0,2,0,0,0,0|1,0,1]=4 1089 B7R0.5 C#CC[C@H](C(=O)O)N TS04370 [0,2,0,0,0,0|1,0,1]=4 1090 B7R0.5 C(C#N)[C@@H](C(=O)O)N TS32049 [0,2,0,0,0,0|2,0,0]=4 1091 B7R0.5 C(C=O)C(C(=O)O)N TS32274 [0,2,0,0,0,0|2,0,0]=4 1092 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [0,2,0,0,0,0|2,0,0]=4 1093 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [0,2,0,0,0,0|2,0,0]=4 1094 B7R0.5 C(CN)C(C(=O)O)N TS32337 [0,2,0,0,0,0|2,0,0]=4 1095 B7R0.5 C(CN)C(C(=O)O)N TS51238 [0,2,0,0,0,0|2,0,0]=4 1096 B7R0.5 C(CN)C(C(=O)O)O TS02964 [0,2,0,0,0,0|2,0,0]=4 1097 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [0,2,0,0,0,0|2,0,0]=4 1098 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [0,2,0,0,0,0|2,0,0]=4 1099 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [0,2,0,0,0,0|2,0,0]=4 1100 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [0,2,0,0,0,0|2,0,0]=4 1101 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [0,2,0,0,0,0|2,0,0]=4 1102 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [0,2,0,0,0,0|2,0,0]=4 1103 B7R0.5 C(CO)C(C(=O)O)N TS32380 [0,2,0,0,0,0|2,0,0]=4 1104 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [0,2,0,0,0,0|2,0,0]=4 1105 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [0,2,0,0,0,0|2,0,0]=4 1106 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [0,2,0,0,0,0|2,0,0]=4 1107 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [0,2,0,0,0,0|2,0,0]=4 1108 B7R0.5 C(CS)C(C(=O)O)N TS05996 [0,2,0,0,0,0|2,0,0]=4 1109 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [0,2,0,0,0,0|2,0,0]=4 1110 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [0,2,0,0,0,0|2,0,0]=4 1111 B7R0.5 C=CCC(C(=O)O)N TS22958 [0,2,0,0,0,0|1,0,1]=4 1112 B7R0.5 C=CC[C@@H](C(=O)O)N TS59542 [0,2,0,0,0,0|1,0,1]=4 1113 B7R0.5 C=CC[C@H](C(=O)O)N TS01416 [0,2,0,0,0,0|1,0,1]=4 1114 B7R0.5 C=CC[C@H](C(=O)O)N TS41064 [0,2,0,0,0,0|1,0,1]=4 1115 B7R0.5 CC(C)C(C)CC=C TS04343 [0,2,0,0,0,0|2,0,0]=4 1116 B7R0.5 CC(C)C(CC=C)O TS32108 [0,2,0,0,0,0|2,0,0]=4 1117 B7R0.5 CC(CC=C)C(=O)O TS04437 [0,2,0,0,0,0|1,0,1]=4 1118 B7R0.5 CCCC(=O)C(=O)C TS32062 [0,2,0,0,0,0|1,0,1]=4 1119 B7R0.5 CCCC(=O)C(=O)O TS32183 [0,2,0,0,0,0|1,0,1]=4 1120 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [0,2,0,0,0,0|1,0,1]=4 1121 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [0,2,0,0,0,0|1,0,0]=3 1122 B7R0.5 CCCC(C(=O)O)Br TS14719 [0,2,0,0,0,0|1,0,0]=3 1123 B7R0.5 CCCC(C(=O)O)N TS04663 [0,2,0,0,0,0|1,0,0]=3 1124 B7R0.5 CCCC(C(=O)[O-])O TS06422 [0,2,0,0,0,0|1,0,0]=3 1125 B7R0.5 CCCC(C)C(=C)C TS31970 [0,2,0,0,0,0|2,0,0]=4 1126 B7R0.5 CCCC(C)C(=O)C TS04464 [0,2,0,0,0,0|1,0,0]=3 1127 B7R0.5 CCCC(C)C(=O)Cl TS05952 [0,2,0,0,0,0|1,0,0]=3 1128 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [0,2,0,0,0,0|1,0,0]=3 1129 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [0,2,0,0,0,0|1,0,0]=3 1130 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [0,2,0,0,0,0|1,0,0]=3 1131 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [0,2,0,0,0,0|1,0,0]=3 1132 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [0,2,0,0,0,0|1,0,0]=3 1133 B7R0.5 COCC(C(=O)O)Cl TS55196 [0,2,0,0,0,0|0,1,0]=3 1134 B7R0.5 COCC(C(=O)O)N TS32379 [0,2,0,0,0,0|0,1,0]=3 1135 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [0,2,0,0,0,0|0,1,0]=3 1136 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [0,2,0,0,0,0|0,1,0]=3 1137 B7R0.5 COC[C@H](C(=O)O)N TS59337 [0,2,0,0,0,0|0,1,0]=3 1138 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [0,2,0,0,0,0|0,0,0]=2 1139 B7R0.7 CC(CC=O)CC=O TS04451 [0,2,0,0,0,0|1,0,1]=4 1140 B7R0.7 CC=CC(C)CC=C TS04219 [0,2,0,0,0,0|2,0,0]=4 1141 B7R0.7 CC=CC(CC=C)O TS04315 [0,2,0,0,0,0|2,0,0]=4 1142 B7R0.7 CCCC(C)C=NO TS32167 [0,2,0,0,0,0|1,0,1]=4 1143 B7R0.7 CCCC(C)CC=C TS31971 [0,2,0,0,0,0|2,0,0]=4 1144 B7R0.7 CCCC(C=CC)O TS04465 [0,2,0,0,0,0|2,0,0]=4 1145 B7R0.7 CCCC(CC=C)O TS04466 [0,2,0,0,0,0|2,0,0]=4 1146 B7R0.7 CSCC(CSC)O TS10235 [0,2,0,0,0,0|0,1,1]=4 1147 B7R0.10 C([C@@H]([C@@H](C=O)O)O)O TS32410 [0,2,0,0,0,0|2,0,0]=4 1148 B7R0.10 C([C@H]([C@@H](C=O)O)O)O TS32408 [0,2,0,0,0,0|2,0,0]=4 1149 B7R0.10 C([C@H]([C@H](C=O)O)O)O TS32407 [0,2,0,0,0,0|2,0,0]=4 1150 B7R0.10 CCC(C(C)C=O)S TS05778 [0,2,0,0,0,0|1,0,0]=3 1151 B7R0.10 CCC(C)C(C)C=C TS04364 [0,2,0,0,0,0|2,0,0]=4 1152 B7R0.10 CCC(C)C(C)C=O TS04460 [0,2,0,0,0,0|1,0,0]=3 1153 B7R0.11 CC(C)(C=O)SSC TS40932 [0,2,0,0,0,0|1,0,0]=3 1154 B7R0.11 CC(C)(CC=C)C=O TS31951 [0,2,0,0,0,0|1,0,1]=4 1155 B7R0.11 CCC(C)(C)CC=C TS02214 [0,2,0,0,0,0|2,0,0]=4 1156 B7R0.11 CCC(C)(CC=C)O TS04476 [0,2,0,0,0,0|2,0,0]=4 1157 B7R0.11 CCCC(C)(C)C=C TS04346 [0,2,0,0,0,0|2,0,0]=4 1158 B7R0.11 CCCC(C=O)(Cl)Cl TS10544 [0,2,0,0,0,0|1,0,0]=3 1159 B7R0.12 CCC(CC)OC=O TS32223 [0,2,0,0,0,0|2,0,0]=4 1160 B7R0.12 COC(CSC)OC TS06112 [0,2,0,0,0,0|2,0,0]=4 1161 B7R0.4 C(C#N)SCC(=O)O TS36584 [0,2,0,0,0,0|2,0,0]=4 1162 B7R0.4 C(C#N)SCC(=O)[O-] TS12705 [0,2,0,0,0,0|2,0,0]=4 1163 B7R0.4 C(CC(=O)O)CON TS18930 [0,2,0,0,0,0|1,1,0]=4 1164 B7R0.4 C(CCBr)CC(=N)N TS47673 [0,2,0,0,0,0|2,0,0]=4 1165 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [0,2,0,0,0,0|1,0,0]=3 1166 B7R0.4 C(CCBr)CC(=O)O TS14721 [0,2,0,0,0,0|1,0,0]=3 1167 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [0,2,0,0,0,0|1,0,0]=3 1168 B7R0.4 C(CCCl)CC(=O)O TS06138 [0,2,0,0,0,0|1,0,0]=3 1169 B7R0.4 C(CCN)CC(=O)O TS04661 [0,2,0,0,0,0|1,0,0]=3 1170 B7R0.4 C(CCN)CC(=O)O TS41314 [0,2,0,0,0,0|1,0,0]=3 1171 B7R0.4 C(CCl)OCC(=O)O TS37248 [0,2,0,0,0,0|2,0,0]=4 1172 B7R0.4 C(CNCC(=O)O)N TS32336 [0,2,0,0,0,0|2,0,0]=4 1173 B7R0.4 C(COC(=O)Cl)CCl TS93963 [0,2,0,0,0,0|2,0,0]=4 1174 B7R0.4 C(COCC(=O)N)O TS32389 [0,2,0,0,0,0|2,0,0]=4 1175 B7R0.4 C=CCCCC(=O)O TS04449 [0,2,0,0,0,0|1,0,1]=4 1176 B7R0.4 C=CCNCC(=O)O TS41063 [0,2,0,0,0,0|1,0,1]=4 1177 B7R0.4 CC#CCOC(=O)C TS31919 [0,2,0,0,0,0|1,0,1]=4 1178 B7R0.4 CC(=CCCC=C)C TS31846 [0,2,0,0,0,0|2,0,0]=4 1179 B7R0.4 CC(=CCOC=O)C TS04439 [0,2,0,0,0,0|1,0,1]=4 1180 B7R0.4 CC(=O)CCCC#N TS04252 [0,2,0,0,0,0|1,0,1]=4 1181 B7R0.4 CC(=O)CCCCBr TS47671 [0,2,0,0,0,0|1,0,0]=3 1182 B7R0.4 CC(=O)CCCCCl TS05947 [0,2,0,0,0,0|1,0,0]=3 1183 B7R0.4 CC(=O)OCCC#C TS31899 [0,2,0,0,0,0|1,0,1]=4 1184 B7R0.4 CC(=O)OCCC=C TS04442 [0,2,0,0,0,0|1,0,1]=4 1185 B7R0.4 CC(=O)OCCCCl TS06130 [0,2,0,0,0,0|2,0,0]=4 1186 B7R0.4 CC(=O)OCCOC TS32328 [0,2,0,0,0,0|0,1,0]=3 1187 B7R0.4 CC(C)CCCC=C TS31960 [0,2,0,0,0,0|2,0,0]=4 1188 B7R0.4 CC(C)CCOC=O TS32212 [0,2,0,0,0,0|1,0,0]=3 1189 B7R0.4 CC(C)CCON=O TS01922 [0,2,0,0,0,0|2,0,0]=4 1190 B7R0.4 CC=CCCC(=C)C TS04225 [0,2,0,0,0,0|2,0,0]=4 1191 B7R0.4 CC=CCCC(C)C TS31977 [0,2,0,0,0,0|2,0,0]=4 1192 B7R0.4 CCC=CCC(=O)O TS04425 [0,2,0,0,0,0|1,0,1]=4 1193 B7R0.4 CCCC#CC(=O)C TS31834 [0,2,0,0,0,0|1,0,1]=4 1194 B7R0.4 CCCC#CC(=O)O TS31912 [0,2,0,0,0,0|1,0,1]=4 1195 B7R0.4 CCCC=CC(=O)C TS31936 [0,2,0,0,0,0|1,0,1]=4 1196 B7R0.4 CCCC=CC(=O)O TS59547 [0,2,0,0,0,0|1,0,1]=4 1197 B7R0.4 CCCCC=C(C)C TS04347 [0,2,0,0,0,0|2,0,0]=4 1198 B7R0.4 CCCCCC(=C)C TS04340 [0,2,0,0,0,0|2,0,0]=4 1199 B7R0.4 CCCCCC(=O)C TS32098 [0,2,0,0,0,0|1,0,0]=3 1200 B7R0.4 CCCCCC(=O)Cl TS05948 [0,2,0,0,0,0|1,0,0]=3 1201 B7R0.4 CCCCCC(=O)N TS32152 [0,2,0,0,0,0|1,0,0]=3 1202 B7R0.4 CCCCCC(=O)O TS32204 [0,2,0,0,0,0|1,0,0]=3 1203 B7R0.4 CCCCCC(=O)[O-] TS37174 [0,2,0,0,0,0|1,0,0]=3 1204 B7R0.4 CCCCCC(=O)[O-] TS58596 [0,2,0,0,0,0|1,0,0]=3 1205 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [0,2,0,0,0,0|1,0,1]=4 1206 B7R0.4 CCCCNC(=O)C TS32171 [0,2,0,0,0,0|1,0,0]=3 1207 B7R0.4 CCCCNC(=O)N TS04607 [0,2,0,0,0,0|1,0,0]=3 1208 B7R0.4 CCCCNC(=S)N TS05781 [0,2,0,0,0,0|1,1,0]=4 1209 B7R0.4 CCCCOC(=O)C TS32218 [0,2,0,0,0,0|1,0,0]=3 1210 B7R0.4 CCCCOC(=O)Cl TS16538 [0,2,0,0,0,0|1,0,0]=3 1211 B7R0.4 CCCCOC(=O)N TS04660 [0,2,0,0,0,0|1,0,0]=3 1212 B7R0.4 CCCCOC(=S)C TS05777 [0,2,0,0,0,0|1,1,0]=4 1213 B7R0.4 CCCCON(=O)=O TS32384 [0,2,0,0,0,0|2,0,0]=4 1214 B7R0.4 CCCCSC(C)C TS05791 [0,2,0,0,0,0|1,0,1]=4 1215 B7R0.4 CCCNCC(=O)O TS04670 [0,2,0,0,0,0|1,0,0]=3 1216 B7R0.4 CCCOCC(=O)O TS32314 [0,2,0,0,0,0|1,0,0]=3 1217 B7R0.4 CCCSCC(=O)O TS05921 [0,2,0,0,0,0|1,0,0]=3 1218 B7R0.4 CCOCCC(=O)C TS04589 [0,2,0,0,0,0|0,1,0]=3 1219 B7R0.4 CCOCCC(=O)O TS32325 [0,2,0,0,0,0|0,1,0]=3 1220 B7R0.4 CCSCCC(C)C TS05793 [0,2,0,0,0,0|1,0,1]=4 1221 B7R0.4 CN(C)CCCC=O TS32154 [0,2,0,0,0,0|1,0,0]=3 1222 B7R0.4 CNCCCC(=O)O TS41308 [0,2,0,0,0,0|1,0,0]=3 1223 B7R0.4 COCCNC(=S)N TS05925 [0,2,0,0,0,0|0,2,0]=4 1224 B7R0.4 COCCOC(=O)Cl TS37247 [0,2,0,0,0,0|0,1,0]=3 1225 B7R0.6 C(CC(=O)Cl)C(=O)Cl TS41481 [0,2,0,0,0,0|2,0,0]=4 1226 B7R0.6 C(CC(=O)N)C(=O)N TS32194 [0,2,0,0,0,0|2,0,0]=4 1227 B7R0.6 C(CC(=O)O)C(=O)N TS32275 [0,2,0,0,0,0|2,0,0]=4 1228 B7R0.6 C(CC(=O)O)C(=O)O TS04698 [0,2,0,0,0,0|2,0,0]=4 1229 B7R0.6 C(CC(=O)O)C(=O)O TS79519 [0,2,0,0,0,0|2,0,0]=4 1230 B7R0.6 C(CC(=O)[O-])C(=O)[O-] TS10145 [0,2,0,0,0,0|2,0,0]=4 1231 B7R0.6 C(CC(=O)[O-])C(=O)[O-] TS12951 [0,2,0,0,0,0|2,0,0]=4 1232 B7R0.6 C(CC(=O)[O-])C(=O)[O-] TS13459 [0,2,0,0,0,0|2,0,0]=4 1233 B7R0.6 C(CC(=O)[O-])C(=O)[O-] TS24612 [0,2,0,0,0,0|2,0,0]=4 1234 B7R0.6 C(CC(=O)[O-])C(=O)[O-] TS29264 [0,2,0,0,0,0|2,0,0]=4 1235 B7R0.6 C(CC(=O)[O-])C(=O)[O-] TS30760 [0,2,0,0,0,0|2,0,0]=4 1236 B7R0.6 C(CC(=O)[O-])C(=O)[O-] TS84663 [0,2,0,0,0,0|2,0,0]=4 1237 B7R0.6 C(C[N+](=O)[O-])C(=O)O TS32372 [0,2,0,0,0,0|2,0,0]=4 1238 B7R0.6 CC(=C)CCC(=O)C TS04310 [0,2,0,0,0,0|1,0,0]=3 1239 B7R0.6 CC(=C)COC(=O)C TS04432 [0,2,0,0,0,0|2,0,0]=4 1240 B7R0.6 CC(=CCC(=O)O)C TS04452 [0,2,0,0,0,0|1,0,1]=4 1241 B7R0.6 CC(=O)CCC(=O)C TS00680 [0,2,0,0,0,0|1,0,0]=3 1242 B7R0.6 CC(=O)CCC(=O)O TS64917 [0,2,0,0,0,0|1,0,0]=3 1243 B7R0.6 CC(=O)CNC(=O)C TS01998 [0,2,0,0,0,0|2,0,0]=4 1244 B7R0.6 CC(=O)COC(=O)C TS32186 [0,2,0,0,0,0|2,0,0]=4 1245 B7R0.6 CC(=O)NCC(=O)O TS33214 [0,2,0,0,0,0|2,0,0]=4 1246 B7R0.6 CC(=O)OCC(=O)Cl TS37071 [0,2,0,0,0,0|2,0,0]=4 1247 B7R0.6 CC(=O)OCC(=O)O TS04693 [0,2,0,0,0,0|2,0,0]=4 1248 B7R0.6 CC(C)CCC(=C)C TS31967 [0,2,0,0,0,0|2,0,0]=4 1249 B7R0.6 CC(C)CCC(=O)C TS32095 [0,2,0,0,0,0|1,0,0]=3 1250 B7R0.6 CC(C)CCC(=O)Cl TS05954 [0,2,0,0,0,0|1,0,0]=3 1251 B7R0.6 CC(C)CCC(=O)O TS32208 [0,2,0,0,0,0|1,0,0]=3 1252 B7R0.6 CC(C)CNC(=O)N TS04600 [0,2,0,0,0,0|2,0,0]=4 1253 B7R0.6 CC(C)COC(=O)C TS04598 [0,2,0,0,0,0|2,0,0]=4 1254 B7R0.6 CC(C)COC(=O)Cl TS74510 [0,2,0,0,0,0|2,0,0]=4 1255 B7R0.6 CC(C)COC(=O)N TS32285 [0,2,0,0,0,0|2,0,0]=4 1256 B7R0.6 CC(C)OCC(=O)O TS04716 [0,2,0,0,0,0|2,0,0]=4 1257 B7R0.6 CC(CCC(=C)C)O TS32103 [0,2,0,0,0,0|2,0,0]=4 1258 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [0,2,0,0,0,0|1,0,0]=3 1259 B7R0.6 CC(COC(=O)C)O TS32324 [0,2,0,0,0,0|2,0,0]=4 1260 B7R0.6 C[S+](C)CCC(=O)O TS12940 [0,2,0,0,0,0|0,0,1]=3 1261 B7R0.6 C[S+](C)CCC(=O)O TS21843 [0,2,0,0,0,0|0,0,1]=3 1262 B7R0.6 C[S+](C)CCC(=O)[O-] TS39378 [0,2,0,0,0,0|0,0,1]=3 1263 B7R0.8 C(CC(F)(F)F)C=O TS36100 [0,2,0,0,0,0|2,0,0]=4 1264 B7R0.8 CC(C)(CCC=C)O TS32097 [0,2,0,0,0,0|2,0,0]=4 1265 B7R0.8 CCCCP(=O)(O)O TS06222 [0,2,0,0,0,0|2,0,0]=4 1266 B7R0.8 CCCCS(=O)(=O)Cl TS33236 [0,2,0,0,0,0|2,0,0]=4 1267 B7R0.8 CCCCS(=O)(=O)[O-] TS11213 [0,2,0,0,0,0|2,0,0]=4 1268 B7R0.8 CNCCS(=O)(=O)O TS01940 [0,2,0,0,0,0|2,0,0]=4 1269 B7R0.8 CNCCS(=O)(=O)[O-] TS42272 [0,2,0,0,0,0|2,0,0]=4 1270 B7R0.8 C[Si](C)(C)CCC=C TS36371 [0,2,0,0,0,0|2,0,0]=4 1271 B7R0.8 C[Si](CCC=C)(Cl)Cl TS44979 [0,2,0,0,0,0|2,0,0]=4 1272 B7R0.1 C(CCC=O)CC=O TS29478 [0,2,0,0,0,0|1,0,0]=3 1273 B7R0.1 C(CCO)CC=NO TS04658 [0,2,0,0,0,0|1,0,1]=4 1274 B7R0.1 C(COC=O)OC=O TS04692 [0,2,0,0,0,0|0,1,1]=4 1275 B7R0.1 C(CSCCO)C#N TS05678 [0,2,0,0,0,0|1,0,1]=4 1276 B7R0.1 C=CCCCCC#N TS31810 [0,2,0,0,0,0|2,0,0]=4 1277 B7R0.1 C=CCCCCC=C TS04214 [0,2,0,0,0,0|2,0,0]=4 1278 B7R0.1 C=CCCCCCBr TS59625 [0,2,0,0,0,0|2,0,0]=4 1279 B7R0.1 C=CCCCCCCl TS36738 [0,2,0,0,0,0|2,0,0]=4 1280 B7R0.1 C=CCCCCCO TS04461 [0,2,0,0,0,0|2,0,0]=4 1281 B7R0.1 C=CCOCCCO TS04587 [0,2,0,0,0,0|2,0,0]=4 1282 B7R0.1 C=CCSSCC=C TS40473 [0,2,0,0,0,0|2,0,0]=4 1283 B7R0.1 C=COCCCCO TS32203 [0,2,0,0,0,0|2,0,0]=4 1284 B7R0.1 CC#CCNCC=C TS31809 [0,2,0,0,0,0|2,0,0]=4 1285 B7R0.1 CC=CCCC=CC TS31853 [0,2,0,0,0,0|2,0,0]=4 1286 B7R0.1 CCC=CCCC=O TS04313 [0,2,0,0,0,0|1,0,0]=3 1287 B7R0.1 CCCC#CCC=C TS04139 [0,2,0,0,0,0|2,0,0]=4 1288 B7R0.1 CCCC=CCC=C TS31855 [0,2,0,0,0,0|2,0,0]=4 1289 B7R0.1 CCCCC#CC=C TS31785 [0,2,0,0,0,0|2,0,0]=4 1290 B7R0.1 CCCCC=CC=C TS31850 [0,2,0,0,0,0|2,0,0]=4 1291 B7R0.1 CCCCC=CC=O TS04311 [0,2,0,0,0,0|1,0,0]=3 1292 B7R0.1 CCCCC=CCC TS04348 [0,2,0,0,0,0|2,0,0]=4 1293 B7R0.1 CCCCC=CCC TS31974 [0,2,0,0,0,0|2,0,0]=4 1294 B7R0.1 CCCCC=CCO TS32112 [0,2,0,0,0,0|1,0,1]=4 1295 B7R0.1 CCCCCC=CC TS31964 [0,2,0,0,0,0|2,0,0]=4 1296 B7R0.1 CCCCCCC=O TS32096 [0,2,0,0,0,0|1,0,0]=3 1297 B7R0.1 CCCCCCSC TS05792 [0,2,0,0,0,0|1,0,1]=4 1298 B7R0.1 CCCCCN=C=O TS04390 [0,2,0,0,0,0|1,0,1]=4 1299 B7R0.1 CCCCCON=O TS04662 [0,2,0,0,0,0|1,0,1]=4 1300 B7R0.1 CCCCCSCC TS36717 [0,2,0,0,0,0|1,0,1]=4 1301 B7R0.1 CCCCOCC=C TS32094 [0,2,0,0,0,0|2,0,0]=4 1302 B7R0.1 CCCCSCC#N TS36442 [0,2,0,0,0,0|1,0,1]=4 1303 B7R0.1 CCCCSCCC TS05790 [0,2,0,0,0,0|1,0,1]=4 1304 B7R0.1 CCCCSCCO TS36874 [0,2,0,0,0,0|1,0,1]=4 1305 B7R0.1 CCCCSSCC TS40937 [0,2,0,0,0,0|1,0,1]=4 1306 B7R0.1 CCCNCCN=O TS04604 [0,2,0,0,0,0|1,0,1]=4 1307 B7R0.1 CCCSSCC=C TS40693 [0,2,0,0,0,0|2,0,0]=4 1308 B7R0.1 CNCCCCC=C TS93899 [0,2,0,0,0,0|2,0,0]=4 1309 B7R0.1 CSCCCCSC TS40938 [0,2,0,0,0,0|0,1,1]=4 1310 B7R0.1 CSCCCN=C=S TS07376 [0,2,0,0,0,0|0,1,1]=4 1311 B5R1.1 C1C=CCN1 TS03158 [1,0,0,1,0,0|1,0,1]=4 1312 B5R1.1 C1C=CCO1 TS47265 [1,0,0,1,0,0|0,1,1]=4 1313 B5R1.1 C1C=CC[SiH2]1 TS71724 [1,0,0,1,0,0|1,0,1]=4 1314 B5R1.1 C1CC=CC1 TS70869 [1,0,0,1,0,0|1,0,0]=3 1315 B5R1.1 C1CCCC1 TS79215 [1,0,0,1,0,0|1,0,1]=4 1316 B5R1.1 C1CCCC1 TS83096 [1,0,0,1,0,0|1,0,1]=4 1317 B5R1.1 C1CCNC1 TS59825 [1,0,0,1,0,0|1,0,1]=4 1318 B5R1.1 C1CCOC1 TS24765 [1,0,0,1,0,0|0,0,2]=4 1319 B5R1.1 C1CCOC1 TS39373 [1,0,0,1,0,0|0,0,2]=4 1320 B5R1.1 C1CCOC1 TS44432 [1,0,0,1,0,0|0,0,2]=4 1321 B5R1.1 C1CCOC1 TS48211 [1,0,0,1,0,0|0,0,2]=4 1322 B5R1.1 C1CCOC1 TS60631 [1,0,0,1,0,0|0,0,2]=4 1323 B5R1.1 C1CCOC1 TS63866 [1,0,0,1,0,0|0,0,2]=4 1324 B5R1.1 C1CCOC1 TS71600 [1,0,0,1,0,0|0,0,2]=4 1325 B5R1.1 C1CCOC1 TS80255 [1,0,0,1,0,0|0,0,2]=4 1326 B5R1.1 C1CCSC1 TS71810 [1,0,0,1,0,0|0,0,1]=3 1327 B5R1.1 C1CNN=C1 TS03359 [1,0,0,1,0,0|2,0,0]=4 1328 B5R1.1 C1COC=C1 TS07898 [1,0,0,1,0,0|0,0,2]=4 1329 B5R1.1 C1COC=N1 TS03370 [1,0,0,1,0,0|1,0,1]=4 1330 B5R1.1 C1COCO1 TS03392 [1,0,0,1,0,0|0,1,1]=4 1331 B5R1.2 C1C(=O)CN1 TS03373 [1,0,0,1,0,0|1,0,0]=3 1332 B5R1.2 C1C(=O)CN1 TS46446 [1,0,0,1,0,0|1,0,0]=3 1333 B5R1.2 C1C(=O)CO1 TS70694 [1,0,0,1,0,0|0,1,0]=3 1334 B5R1.2 C1C(=O)CS1 TS90454 [1,0,0,1,0,0|0,0,0]=2 1335 B5R1.2 C1C(CN1)N TS88575 [1,0,0,1,0,0|2,0,0]=4 1336 B5R1.2 C1C(CN1)N TS92985 [1,0,0,1,0,0|2,0,0]=4 1337 B5R1.2 C1C(CN1)O TS00225 [1,0,0,1,0,0|1,0,1]=4 1338 B5R1.2 C1C(CN1)O TS65705 [1,0,0,1,0,0|1,0,1]=4 1339 B5R1.2 C1C(CN1)S TS87598 [1,0,0,1,0,0|1,1,0]=4 1340 B5R1.2 C1C(CO1)Br TS65955 [1,0,0,1,0,0|1,1,0]=4 1341 B5R1.2 C1C(CO1)Cl TS91374 [1,0,0,1,0,0|1,1,0]=4 1342 B5R1.2 C1C(CO1)I TS70631 [1,0,0,1,0,0|1,1,0]=4 1343 B5R1.2 C1C(CO1)N TS90822 [1,0,0,1,0,0|1,1,0]=4 1344 B5R1.2 C1C(CO1)O TS02791 [1,0,0,1,0,0|0,1,1]=4 1345 B5R1.2 C1C(CO1)S TS90997 [1,0,0,1,0,0|0,2,0]=4 1346 B5R1.2 C1C(CS1)N TS85859 [1,0,0,1,0,0|1,0,0]=3 1347 B5R1.2 C1CC(=O)C1 TS01399 [1,0,0,1,0,0|0,0,0]=2 1348 B5R1.2 C1CC(C1)Br TS36910 [1,0,0,1,0,0|1,0,1]=4 1349 B5R1.2 C1CC(C1)Cl TS03632 [1,0,0,1,0,0|1,0,1]=4 1350 B5R1.2 C1CC(C1)N TS03375 [1,0,0,1,0,0|1,0,1]=4 1351 B5R1.2 C1CC(C1)N TS04122 [1,0,0,1,0,0|1,0,1]=4 1352 B5R1.2 C1CC(C1)O TS59758 [1,0,0,1,0,0|0,0,2]=4 1353 B5R1.2 C1CNC1=O TS55052 [1,0,0,1,0,0|1,0,0]=3 1354 B5R1.2 C1COC1=O TS71591 [1,0,0,1,0,0|0,1,0]=3 1355 B5R1.2 CC1CCN1 TS71588 [1,0,0,1,0,0|1,0,1]=4 1356 B5R1.3 C#CC1CC1 TS02742 [1,0,0,1,0,0|1,0,1]=4 1357 B5R1.3 C1C(O1)CBr TS06154 [1,0,0,1,0,0|1,1,0]=4 1358 B5R1.3 C1C(O1)CCl TS08941 [1,0,0,1,0,0|1,1,0]=4 1359 B5R1.3 C1C(O1)CCl TS94501 [1,0,0,1,0,0|1,1,0]=4 1360 B5R1.3 C1C(O1)CCl TS94502 [1,0,0,1,0,0|1,1,0]=4 1361 B5R1.3 C1C(O1)CF TS71640 [1,0,0,1,0,0|1,1,0]=4 1362 B5R1.3 C1C(O1)CO TS03389 [1,0,0,1,0,0|0,1,1]=4 1363 B5R1.3 C1CC1C#N TS16796 [1,0,0,1,0,0|1,0,1]=4 1364 B5R1.3 C1CC1C=O TS55830 [1,0,0,1,0,0|0,0,0]=2 1365 B5R1.3 C1CC1CBr TS46573 [1,0,0,1,0,0|1,0,1]=4 1366 B5R1.3 C1CC1CCl TS46576 [1,0,0,1,0,0|1,0,1]=4 1367 B5R1.3 C1CC1CN TS03376 [1,0,0,1,0,0|1,0,1]=4 1368 B5R1.3 C1CC1CN TS04123 [1,0,0,1,0,0|1,0,1]=4 1369 B5R1.3 C1CC1CO TS34565 [1,0,0,1,0,0|0,0,2]=4 1370 B5R1.3 C1CC1ON TS94064 [1,0,0,1,0,0|2,0,0]=4 1371 B5R1.3 C1CC1[Mg]Br TS59761 [1,0,0,1,0,0|2,0,0]=4 1372 B5R1.3 C1[C@@H](O1)CCl TS00305 [1,0,0,1,0,0|1,1,0]=4 1373 B5R1.3 C1[C@@H](O1)CO TS00321 [1,0,0,1,0,0|0,1,1]=4 1374 B5R1.3 C1[C@H](O1)CCl TS46636 [1,0,0,1,0,0|1,1,0]=4 1375 B5R1.3 C1[C@H](O1)CO TS01969 [1,0,0,1,0,0|0,1,1]=4 1376 B5R1.3 C=CC1CC1 TS02996 [1,0,0,1,0,0|1,0,0]=3 1377 B5R1.3 CCC1CC1 TS03362 [1,0,0,1,0,0|1,0,1]=4 1378 B5R1.3 CCC1CO1 TS71603 [1,0,0,1,0,0|0,0,2]=4 1379 B5R1.3 CC[C@@H]1CO1 TS71607 [1,0,0,1,0,0|0,0,2]=4 1380 B5R1.3 CC[C@H]1CO1 TS71606 [1,0,0,1,0,0|0,0,2]=4 1381 B5R1.3 CNC1CC1 TS87062 [1,0,0,1,0,0|1,0,1]=4 1382 B5R1.3 [C-]#[N+]C1CC1 TS02923 [1,0,0,1,0,0|2,0,0]=4 1383 B5R1.4 C[C@@H]1C[C@@H]1C TS03365 [1,0,0,1,0,0|1,0,1]=4 1384 B5R1.4 C[C@@H]1C[C@H]1C TS03366 [1,0,0,1,0,0|1,0,1]=4 1385 B7R1.1 C1C=C(CS1)C=O TS04454 [0,1,0,1,0,0|0,0,1]=3 1386 B7R1.1 C1CC(OC1)C=O TS16819 [0,1,0,1,0,0|1,0,0]=3 1387 B7R1.1 C1CCC(C1)C=O TS55823 [0,1,0,1,0,0|1,0,0]=3 1388 B7R1.1 C1CCN(C1)C=O TS03825 [0,1,0,1,0,0|1,0,0]=3 1389 B7R1.1 C1CCN(C1)N=O TS03853 [0,1,0,1,0,0|2,0,0]=4 1390 B7R1.1 C1COCC1C=O TS85084 [0,1,0,1,0,0|0,1,0]=3 1391 B7R1.1 C1[C@H](NCS1)C#N TS09979 [0,1,0,1,0,0|1,0,1]=4 1392 B7R1.1 C=CC1CCCC1 TS44110 [0,1,0,1,0,0|2,0,0]=4 1393 B7R1.1 CC=C1CCCC1 TS03729 [0,1,0,1,0,0|2,0,0]=4 1394 B7R1.1 CCC1CCC=C1 TS03720 [0,1,0,1,0,0|2,0,0]=4 1395 B7R1.1 CSC1CCCC1 TS04638 [0,1,0,1,0,0|1,0,1]=4 1396 B7R1.2 C1C(=O)NC(=O)S1 TS00655 [0,1,0,1,0,0|1,0,1]=4 1397 B7R1.2 C1C(=O)NC(=S)S1 TS36781 [0,1,0,1,0,0|1,0,1]=4 1398 B7R1.2 C1C(CNC1=O)N TS87465 [0,1,0,1,0,0|2,0,0]=4 1399 B7R1.2 C1C(COC1=O)O TS31581 [0,1,0,1,0,0|2,0,0]=4 1400 B7R1.2 C1CC(=O)CC1=O TS46791 [0,1,0,1,0,0|1,0,0]=3 1401 B7R1.2 C1CC(=O)NC1=O TS31467 [0,1,0,1,0,0|2,0,0]=4 1402 B7R1.2 C1CC(=O)OC1=O TS31489 [0,1,0,1,0,0|2,0,0]=4 1403 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [0,1,0,1,0,0|2,0,0]=4 1404 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [0,1,0,1,0,0|2,0,0]=4 1405 B7R1.2 C1[C@@H](COC1=O)N TS37130 [0,1,0,1,0,0|2,0,0]=4 1406 B7R1.2 C1[C@@H](COC1=O)O TS33101 [0,1,0,1,0,0|2,0,0]=4 1407 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [0,1,0,1,0,0|1,0,1]=4 1408 B7R1.2 C1[C@H](CNC1=O)O TS01973 [0,1,0,1,0,0|2,0,0]=4 1409 B7R1.2 C1[C@H](CNC1=O)S TS04686 [0,1,0,1,0,0|2,0,0]=4 1410 B7R1.2 C1[C@H](COC1=O)O TS46585 [0,1,0,1,0,0|2,0,0]=4 1411 B7R1.2 C=C1CCC(=O)O1 TS03758 [0,1,0,1,0,0|1,0,1]=4 1412 B7R1.2 CC1=CC(=O)CC1 TS60019 [0,1,0,1,0,0|1,0,0]=3 1413 B7R1.2 CC1=CC(=O)OC1 TS03763 [0,1,0,1,0,0|2,0,0]=4 1414 B7R1.2 CC1=CCC(=O)O1 TS03764 [0,1,0,1,0,0|1,0,1]=4 1415 B7R1.2 CC1COC(=O)O1 TS08062 [0,1,0,1,0,0|2,0,0]=4 1416 B7R1.2 CC1COC(=O)O1 TS93060 [0,1,0,1,0,0|2,0,0]=4 1417 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [0,1,0,1,0,0|1,0,0]=3 1418 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [0,1,0,1,0,0|2,0,0]=4 1419 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [0,1,0,1,0,0|2,0,0]=4 1420 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [0,1,0,1,0,0|2,0,0]=4 1421 B7R1.3 B=[O+2]1CCSCC1 TS32312 [0,1,0,1,0,0|2,0,0]=4 1422 B7R1.3 C1CC(=O)CNC1 TS02886 [0,1,0,1,0,0|1,0,0]=3 1423 B7R1.3 C1CC(=O)CNC1 TS59353 [0,1,0,1,0,0|1,0,0]=3 1424 B7R1.3 C1CC(=O)COC1 TS22954 [0,1,0,1,0,0|0,1,0]=3 1425 B7R1.3 C1CC(=O)COC1 TS89862 [0,1,0,1,0,0|0,1,0]=3 1426 B7R1.3 C1CC(=O)CSC1 TS90226 [0,1,0,1,0,0|0,0,0]=2 1427 B7R1.3 C1CC(CC=C1)Br TS11358 [0,1,0,1,0,0|2,0,0]=4 1428 B7R1.3 C1CC(CC=C1)Cl TS04655 [0,1,0,1,0,0|2,0,0]=4 1429 B7R1.3 C1CC(CC=C1)O TS31422 [0,1,0,1,0,0|2,0,0]=4 1430 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,1,0,1,0,0|1,0,1]=4 1431 B7R1.3 C1CC=CC(C1)Br TS11359 [0,1,0,1,0,0|2,0,0]=4 1432 B7R1.3 C1CC=CC(C1)Cl TS04653 [0,1,0,1,0,0|2,0,0]=4 1433 B7R1.3 C1CC=CC(C1)O TS59964 [0,1,0,1,0,0|2,0,0]=4 1434 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,1,0,1,0,0|2,0,0]=4 1435 B7R1.3 C1CCC(=O)CC1 TS31441 [0,1,0,1,0,0|1,0,0]=3 1436 B7R1.3 C1CCNC(=N)C1 TS05957 [0,1,0,1,0,0|2,0,0]=4 1437 B7R1.3 C1CCNC(=O)C1 TS01420 [0,1,0,1,0,0|1,0,0]=3 1438 B7R1.3 C1CCOC(=O)C1 TS01892 [0,1,0,1,0,0|1,0,0]=3 1439 B7R1.3 C1CNC(=O)CN1 TS59349 [0,1,0,1,0,0|1,0,0]=3 1440 B7R1.3 C1CNC(=O)NC1 TS59429 [0,1,0,1,0,0|2,0,0]=4 1441 B7R1.3 C1CNCCC1=O TS02248 [0,1,0,1,0,0|1,0,0]=3 1442 B7R1.3 C1CNCCC1=O TS71284 [0,1,0,1,0,0|1,0,0]=3 1443 B7R1.3 C1COC(=O)C=C1 TS03767 [0,1,0,1,0,0|1,0,1]=4 1444 B7R1.3 C1COC(=O)CO1 TS31576 [0,1,0,1,0,0|0,1,0]=3 1445 B7R1.3 C1COC(=O)OC1 TS31584 [0,1,0,1,0,0|2,0,0]=4 1446 B7R1.3 C1COCC(=O)N1 TS01573 [0,1,0,1,0,0|0,1,0]=3 1447 B7R1.3 C1COCCC1=O TS59431 [0,1,0,1,0,0|0,1,0]=3 1448 B7R1.3 C1CSCCC1=O TS59432 [0,1,0,1,0,0|0,0,0]=2 1449 B7R1.3 C1CSCCC1N TS59442 [0,1,0,1,0,0|1,0,1]=4 1450 B7R1.3 C1CSCCC1O TS59441 [0,1,0,1,0,0|0,0,2]=4 1451 B7R1.3 CC1SCCCS1 TS16705 [0,1,0,1,0,0|0,1,1]=4 1452 B7R1.4 C1C(C(=O)NO1)N TS03929 [0,1,0,1,0,0|1,1,0]=4 1453 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [0,1,0,1,0,0|1,0,1]=4 1454 B7R1.4 C1CC(C(=O)C1)Br TS55161 [0,1,0,1,0,0|1,0,0]=3 1455 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [0,1,0,1,0,0|1,0,0]=3 1456 B7R1.4 C1CNC(=O)C1N TS94857 [0,1,0,1,0,0|2,0,0]=4 1457 B7R1.4 C1CNC(=O)C1O TS02803 [0,1,0,1,0,0|2,0,0]=4 1458 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [0,1,0,1,0,0|2,0,0]=4 1459 B7R1.4 C1COC(=O)C1Br TS65029 [0,1,0,1,0,0|2,0,0]=4 1460 B7R1.4 C1COC(=O)C1O TS70622 [0,1,0,1,0,0|2,0,0]=4 1461 B7R1.4 C1COC(=O)N1N TS03931 [0,1,0,1,0,0|2,0,0]=4 1462 B7R1.4 C1COC(=O)N1N TS18967 [0,1,0,1,0,0|2,0,0]=4 1463 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [0,1,0,1,0,0|2,0,0]=4 1464 B7R1.4 C1COC(=O)[C@H]1N TS37131 [0,1,0,1,0,0|2,0,0]=4 1465 B7R1.4 C1CSC(=O)C1N TS41321 [0,1,0,1,0,0|2,0,0]=4 1466 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [0,1,0,1,0,0|2,0,0]=4 1467 B7R1.4 C1[C@@H](C(=O)NO1)N TS31587 [0,1,0,1,0,0|1,1,0]=4 1468 B7R1.4 C1[C@H](C(=O)NO1)N TS01419 [0,1,0,1,0,0|1,1,0]=4 1469 B7R1.4 C=C1CCOC1=O TS46473 [0,1,0,1,0,0|1,0,1]=4 1470 B7R1.4 CC1=C(CCC1)C TS03727 [0,1,0,1,0,0|2,0,0]=4 1471 B7R1.4 CC1=C(CCO1)S TS04610 [0,1,0,1,0,0|0,2,0]=4 1472 B7R1.4 CC1=C(CCO1)S TS11013 [0,1,0,1,0,0|0,2,0]=4 1473 B7R1.4 CC1=CCCC1=O TS31367 [0,1,0,1,0,0|1,0,0]=3 1474 B7R1.4 CC1=CCOC1=O TS03756 [0,1,0,1,0,0|1,0,1]=4 1475 B7R1.4 CC1=[N+](CCS1)C TS26975 [0,1,0,1,0,0|2,0,0]=4 1476 B7R1.4 CC1C(=O)CCO1 TS31501 [0,1,0,1,0,0|0,1,0]=3 1477 B7R1.4 CC1C(=O)CCS1 TS04612 [0,1,0,1,0,0|0,0,0]=2 1478 B7R1.4 CC1CCC=C1C TS31386 [0,1,0,1,0,0|2,0,0]=4 1479 B7R1.4 CC1CCNC1=O TS70662 [0,1,0,1,0,0|1,0,0]=3 1480 B7R1.4 CC1CCOC1=O TS59696 [0,1,0,1,0,0|1,0,0]=3 1481 B7R1.4 CN1CCCC1=O TS46986 [0,1,0,1,0,0|1,0,0]=3 1482 B7R1.4 CN1CCNC1=S TS04614 [0,1,0,1,0,0|1,1,0]=4 1483 B7R1.4 CN1CCSC1=S TS36785 [0,1,0,1,0,0|1,1,0]=4 1484 B7R1.4 Cn1c(=O)ccs1 TS41073 [0,1,0,1,0,0|0,0,2]=4 1485 B7R1.6 C1C(CO1)CC=O TS86511 [0,1,0,1,0,0|0,1,0]=3 1486 B7R1.8 C1CC(=O)C1CO TS92430 [0,1,0,1,0,0|1,0,0]=3 1487 B7R1.10 C1C(CC1=O)C#N TS86059 [0,1,0,1,0,0|2,0,0]=4 1488 B7R1.10 C1C(CC1=O)CBr TS89769 [0,1,0,1,0,0|2,0,0]=4 1489 B7R1.10 C1C(CC1=O)CCl TS90066 [0,1,0,1,0,0|2,0,0]=4 1490 B7R1.10 C1C(CC1=O)CN TS88367 [0,1,0,1,0,0|2,0,0]=4 1491 B7R1.10 C1C(CC1=O)CO TS87456 [0,1,0,1,0,0|2,0,0]=4 1492 B7R1.25 CC1(COC1)C=O TS91628 [0,1,0,1,0,0|0,1,0]=3 1493 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O TS91377 [0,1,0,1,0,0|2,0,0]=4 1494 B7R1.12 C1[C@@H]([C@H]1F)C(=O)Cl TS04937 [0,1,0,1,0,0|2,0,0]=4 1495 B7R1.14 C1CCS(=O)(=O)C1 TS00274 [0,1,0,1,0,0|2,0,0]=4 1496 B7R1.18 C1C(CN1)C(=O)N TS86704 [0,1,0,1,0,0|1,0,0]=3 1497 B7R1.18 C1C(CN1)C(=O)N TS88630 [0,1,0,1,0,0|1,0,0]=3 1498 B7R1.18 C1C(CN1)C(=O)O TS06212 [0,1,0,1,0,0|1,0,0]=3 1499 B7R1.18 C1C(CN1)C(=O)O TS55737 [0,1,0,1,0,0|1,0,0]=3 1500 B7R1.18 C1C(CO1)C(=O)O TS87729 [0,1,0,1,0,0|0,1,0]=3 1501 B7R1.18 C1CC(C1)C(=N)N TS88293 [0,1,0,1,0,0|2,0,0]=4 1502 B7R1.18 C1CC(C1)C(=O)Cl TS22945 [0,1,0,1,0,0|1,0,0]=3 1503 B7R1.18 C1CC(C1)C(=O)N TS03818 [0,1,0,1,0,0|1,0,0]=3 1504 B7R1.18 C1CC(C1)C(=O)O TS22946 [0,1,0,1,0,0|1,0,0]=3 1505 B7R1.18 C1CC(C1)C(=O)[O-] TS39115 [0,1,0,1,0,0|1,0,0]=3 1506 B7R1.18 C1CNC1C(=O)N TS03852 [0,1,0,1,0,0|2,0,0]=4 1507 B7R1.18 C1CNC1C(=O)O TS31540 [0,1,0,1,0,0|2,0,0]=4 1508 B7R1.18 C1CNC1C(=O)O TS86021 [0,1,0,1,0,0|2,0,0]=4 1509 B7R1.18 C1CN[C@@H]1C(=O)O TS08096 [0,1,0,1,0,0|2,0,0]=4 1510 B7R1.18 C1CN[C@@H]1C(=O)O TS37132 [0,1,0,1,0,0|2,0,0]=4 1511 B7R1.18 C1CN[C@H]1C(=O)O TS01418 [0,1,0,1,0,0|2,0,0]=4 1512 B7R1.18 C1COC1C(=O)O TS32718 [0,1,0,1,0,0|2,0,0]=4 1513 B7R1.20 C1CC1CC(=O)O TS55836 [0,1,0,1,0,0|1,0,0]=3 1514 B7R1.24 C1C=CCOCO1 TS03849 [0,1,0,1,0,0|1,1,0]=4 1515 B7R1.24 C1CCC=CCC1 TS31384 [0,1,0,1,0,0|2,0,0]=4 1516 B7R1.24 C1CCCSCC1 TS04639 [0,1,0,1,0,0|1,0,1]=4 1517 B7R1.24 C1CCSCSC1 TS36881 [0,1,0,1,0,0|0,1,1]=4