0 B7R0.1 C#CCCCCCO TS01237 [0,0,0,0,0,0|0,0,4]=4 1 B7R0.1 C(CCCBr)CCBr TS07890 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C(CCCBr)CCCl TS00416 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C(CCCBr)CCO TS59727 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C(CCCCl)CCCl TS10546 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.1 C(CCCCl)CCO TS06143 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.1 C(CCCI)CCCl TS27509 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 C(CCCN)CCN TS04632 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.1 C(CCCN)CCN TS41228 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.1 C(CCCN)CCN TS41960 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.1 C(CCCN)CCN TS42181 [0,0,0,0,0,0|2,0,2]=4 11 B7R0.1 C(CCCO)CCN TS39356 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.1 C(CCCO)CCO TS46825 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 C(CCCS)CCO TS36872 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.1 C(CCCS)CCS TS40940 [0,0,0,0,0,0|1,1,2]=4 15 B7R0.1 C(CCC[Zn+])CCCl TS68903 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.1 C(CCO)CC=NO TS04658 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.1 C(CN)CNCCBr TS56331 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.1 C(CN)CNCCN TS32302 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.1 C(CN)CNCCO TS56334 [0,0,0,0,0,0|2,0,2]=4 20 B7R0.1 C(CNCCN)CO TS32350 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 C(CNCCO)CO TS04790 [0,0,0,0,0,0|2,0,1]=3 22 B7R0.1 C(CO)C#CCCO TS32070 [0,0,0,0,0,0|1,0,3]=4 23 B7R0.1 C(CSSCCO)O TS41445 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C=CCCC=CC=C TS31784 [0,0,0,0,0,0|1,0,3]=4 25 B7R0.1 C=CCCCCCO TS04461 [0,0,0,0,0,0|0,0,4]=4 26 B7R0.1 C=CCOCCCO TS04587 [0,0,0,0,0,0|1,0,3]=4 27 B7R0.1 C=COCCCCO TS32203 [0,0,0,0,0,0|1,0,3]=4 28 B7R0.1 CCC#CCCCCl TS36574 [0,0,0,0,0,0|1,0,2]=3 29 B7R0.1 CCC=CC=CC=O TS04199 [0,0,0,0,0,0|0,0,4]=4 30 B7R0.1 CCC=CC=CCO TS31934 [0,0,0,0,0,0|0,0,2]=2 31 B7R0.1 CCC=CCCC=O TS04313 [0,0,0,0,0,0|0,0,2]=2 32 B7R0.1 CCC=CCCCO TS04463 [0,0,0,0,0,0|0,0,0]=0 33 B7R0.1 CCCC#CCCC TS31857 [0,0,0,0,0,0|1,0,3]=4 34 B7R0.1 CCCC#CCCO TS31945 [0,0,0,0,0,0|0,0,3]=3 35 B7R0.1 CCCC=CC=CC TS31845 [0,0,0,0,0,0|1,0,2]=3 36 B7R0.1 CCCC=CCC=C TS31855 [0,0,0,0,0,0|1,0,3]=4 37 B7R0.1 CCCC=CCCC TS31958 [0,0,0,0,0,0|1,0,2]=3 38 B7R0.1 CCCC=CCCO TS04459 [0,0,0,0,0,0|0,0,2]=2 39 B7R0.1 CCCC=COCC TS04469 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.1 CCCCC#CCC TS31859 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.1 CCCCC#CCO TS31930 [0,0,0,0,0,0|0,0,4]=4 42 B7R0.1 CCCCC=CC=C TS31850 [0,0,0,0,0,0|1,0,2]=3 43 B7R0.1 CCCCC=CC=O TS04311 [0,0,0,0,0,0|2,0,1]=3 44 B7R0.1 CCCCC=CCC TS04348 [0,0,0,0,0,0|1,0,0]=1 45 B7R0.1 CCCCC=CCC TS31974 [0,0,0,0,0,0|1,0,0]=1 46 B7R0.1 CCCCC=CCO TS32112 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.1 CCCCCC#CC TS31856 [0,0,0,0,0,0|1,0,3]=4 48 B7R0.1 CCCCCC=CC TS31964 [0,0,0,0,0,0|1,0,2]=3 49 B7R0.1 CCCCCCC#C TS31852 [0,0,0,0,0,0|1,0,3]=4 50 B7R0.1 CCCCCCC#N TS31893 [0,0,0,0,0,0|1,0,3]=4 51 B7R0.1 CCCCCCC=O TS32096 [0,0,0,0,0,0|0,0,4]=4 52 B7R0.1 CCCCCCCBr TS00035 [0,0,0,0,0,0|1,0,2]=3 53 B7R0.1 CCCCCCCCl TS36887 [0,0,0,0,0,0|1,0,2]=3 54 B7R0.1 CCCCCCCF TS32353 [0,0,0,0,0,0|1,0,2]=3 55 B7R0.1 CCCCCCCI TS52275 [0,0,0,0,0,0|1,0,2]=3 56 B7R0.1 CCCCCCCN TS04552 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.1 CCCCCCCO TS32232 [0,0,0,0,0,0|0,0,2]=2 58 B7R0.1 CCCCCCCS TS05788 [0,0,0,0,0,0|0,1,2]=3 59 B7R0.1 CCCCCCNC TS04559 [0,0,0,0,0,0|2,0,2]=4 60 B7R0.1 CCCCCCOC TS32254 [0,0,0,0,0,0|2,0,2]=4 61 B7R0.1 CCCCCCSC TS05792 [0,0,0,0,0,0|2,0,2]=4 62 B7R0.1 CCCCCNCC TS04550 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.1 CCCCCOCC TS32236 [0,0,0,0,0,0|2,0,1]=3 64 B7R0.1 CCCCCSCC TS36717 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.1 CCCCNCCC TS04557 [0,0,0,0,0,0|2,0,1]=3 66 B7R0.1 CCCCNCCN TS04633 [0,0,0,0,0,0|2,0,2]=4 67 B7R0.1 CCCCNCCO TS32289 [0,0,0,0,0,0|1,0,2]=3 68 B7R0.1 CCCCNCCS TS36787 [0,0,0,0,0,0|1,1,2]=4 69 B7R0.1 CCCCOCCBr TS48031 [0,0,0,0,0,0|2,0,2]=4 70 B7R0.1 CCCCOCCCl TS06142 [0,0,0,0,0,0|2,0,2]=4 71 B7R0.1 CCCCOCCO TS04738 [0,0,0,0,0,0|1,0,2]=3 72 B7R0.1 CCCCSCCC TS05790 [0,0,0,0,0,0|2,0,1]=3 73 B7R0.1 CCCCSCCO TS36874 [0,0,0,0,0,0|1,0,2]=3 74 B7R0.1 CCCCSSCC TS40937 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.1 CCCNCCC#N TS04329 [0,0,0,0,0,0|2,0,2]=4 76 B7R0.1 CCCNCCCN TS32259 [0,0,0,0,0,0|2,0,1]=3 77 B7R0.1 CCCNCCN=O TS04604 [0,0,0,0,0,0|2,0,2]=4 78 B7R0.1 CCCOCCCN TS32295 [0,0,0,0,0,0|2,0,1]=3 79 B7R0.1 CCCSSCCC TS40941 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.1 CCNCCCCN TS36623 [0,0,0,0,0,0|2,0,1]=3 81 B7R0.1 CCNCCCCO TS32294 [0,0,0,0,0,0|1,0,1]=2 82 B7R0.1 CCNCCNCC TS32258 [0,0,0,0,0,0|3,0,1]=4 83 B7R0.1 CCOCCCCCl TS06141 [0,0,0,0,0,0|2,0,1]=3 84 B7R0.1 CCOCCOCC TS32341 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.6 C#CCCCCO TS31426 [1,0,0,0,0,0|0,0,3]=4 86 B6R0.6 C(CCBr)CCBr TS07888 [1,0,0,0,0,0|2,0,1]=4 87 B6R0.6 C(CCCl)CC=O TS32450 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.6 C(CCCl)CCBr TS48788 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 C(CCCl)CCCl TS06550 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.6 C(CCCl)CCI TS53384 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.6 C(CCCl)CC[Zn+] TS28126 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.6 C(CCI)CCI TS77462 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.6 C(CCN)CCN TS03978 [1,0,0,0,0,0|2,0,1]=4 94 B6R0.6 C(CCN)CCN TS45899 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.6 C(CCN)CCO TS04006 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.6 C(CCO)CC=O TS03340 [1,0,0,0,0,0|1,0,1]=3 97 B6R0.6 C(CCO)CCBr TS09812 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.6 C(CCO)CCCl TS71520 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.6 C(CCO)CCO TS46820 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.6 C(CCS)CCS TS37065 [1,0,0,0,0,0|1,1,1]=4 101 B6R0.6 C(CNCCO)N TS00063 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.6 C(CO)NCCO TS04076 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.6 C(CO)NCCO TS37530 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.6 C(CO)NCCO TS76269 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.6 C(COCC=O)O TS31664 [1,0,0,0,0,0|2,0,1]=4 106 B6R0.6 C(COCCCl)O TS36027 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.6 C(COCCO)N TS04075 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 C(COCCO)O TS01431 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.6 C(COCCS)O TS32524 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.6 C(CSCCO)N TS04873 [1,0,0,0,0,0|2,0,1]=4 111 B6R0.6 C(CSCCO)O TS32771 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.6 C=CCCCCBr TS33003 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.6 C=CCCCCCl TS04773 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.6 C=CCCCCN TS03830 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 C=CCCCCO TS71562 [1,0,0,0,0,0|0,0,2]=3 116 B6R0.6 C=CCOCCO TS31592 [1,0,0,0,0,0|1,0,2]=4 117 B6R0.6 CC=CC=CCO TS31427 [1,0,0,0,0,0|0,0,2]=3 118 B6R0.6 CC=CCCCO TS31509 [1,0,0,0,0,0|0,0,0]=1 119 B6R0.6 CC=CCCCO TS31521 [1,0,0,0,0,0|0,0,0]=1 120 B6R0.6 CCC#COCC TS31433 [1,0,0,0,0,0|1,0,2]=4 121 B6R0.6 CCC=CCC=O TS31443 [1,0,0,0,0,0|0,0,2]=3 122 B6R0.6 CCC=CCCO TS31511 [1,0,0,0,0,0|0,0,0]=1 123 B6R0.6 CCC=CCCO TS31515 [1,0,0,0,0,0|0,0,0]=1 124 B6R0.6 CCCC#CCC TS03730 [1,0,0,0,0,0|0,0,2]=3 125 B6R0.6 CCCC=CC=O TS31421 [1,0,0,0,0,0|1,0,1]=3 126 B6R0.6 CCCC=CC=O TS31438 [1,0,0,0,0,0|1,0,1]=3 127 B6R0.6 CCCC=CC=O TS31444 [1,0,0,0,0,0|1,0,1]=3 128 B6R0.6 CCCC=CCO TS03865 [1,0,0,0,0,0|1,0,0]=2 129 B6R0.6 CCCCC#CC TS03724 [1,0,0,0,0,0|0,0,3]=4 130 B6R0.6 CCCCC=CBr TS11653 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.6 CCCCC=CC TS03803 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.6 CCCCCC#C TS03726 [1,0,0,0,0,0|1,0,2]=4 133 B6R0.6 CCCCCC#N TS31405 [1,0,0,0,0,0|1,0,2]=4 134 B6R0.6 CCCCCC=C TS31453 [1,0,0,0,0,0|1,0,2]=4 135 B6R0.6 CCCCCC=O TS39877 [1,0,0,0,0,0|0,0,3]=4 136 B6R0.6 CCCCCCBr TS00036 [1,0,0,0,0,0|1,0,1]=3 137 B6R0.6 CCCCCCC TS03885 [1,0,0,0,0,0|0,0,2]=3 138 B6R0.6 CCCCCCCl TS04842 [1,0,0,0,0,0|1,0,1]=3 139 B6R0.6 CCCCCCF TS31676 [1,0,0,0,0,0|1,0,1]=3 140 B6R0.6 CCCCCCI TS93973 [1,0,0,0,0,0|1,0,1]=3 141 B6R0.6 CCCCCCN TS31561 [1,0,0,0,0,0|1,0,1]=3 142 B6R0.6 CCCCCCN TS37145 [1,0,0,0,0,0|1,0,1]=3 143 B6R0.6 CCCCCCO TS39881 [1,0,0,0,0,0|0,0,1]=2 144 B6R0.6 CCCCCCS TS04753 [1,0,0,0,0,0|0,1,1]=3 145 B6R0.6 CCCCCC[SiH3] TS04643 [1,0,0,0,0,0|1,0,1]=3 146 B6R0.6 CCCCCC[Zn+] TS24970 [1,0,0,0,0,0|1,0,1]=3 147 B6R0.6 CCCCCNC TS03916 [1,0,0,0,0,0|1,0,2]=4 148 B6R0.6 CCCCCNN TS06331 [1,0,0,0,0,0|2,0,1]=4 149 B6R0.6 CCCCCSC TS04750 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.6 CCCCC[Mg]Cl TS36578 [1,0,0,0,0,0|2,0,1]=4 151 B6R0.6 CCCCNC=O TS03902 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.6 CCCCNCC TS03925 [1,0,0,0,0,0|1,0,1]=3 153 B6R0.6 CCCCOC=C TS33237 [1,0,0,0,0,0|2,0,1]=4 154 B6R0.6 CCCCOC=O TS03954 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.6 CCCCOCC TS03964 [1,0,0,0,0,0|1,0,1]=3 156 B6R0.6 CCCCOCCl TS04949 [1,0,0,0,0,0|2,0,1]=4 157 B6R0.6 CCCCSCC TS04749 [1,0,0,0,0,0|1,0,1]=3 158 B6R0.6 CCCNCCC TS39857 [1,0,0,0,0,0|1,0,1]=3 159 B6R0.6 CCCNCCN TS03973 [1,0,0,0,0,0|2,0,1]=4 160 B6R0.6 CCCNCCO TS04001 [1,0,0,0,0,0|1,0,1]=3 161 B6R0.6 CCCOCCC TS03967 [1,0,0,0,0,0|1,0,1]=3 162 B6R0.6 CCCOCCC TS49356 [1,0,0,0,0,0|1,0,1]=3 163 B6R0.6 CCCOCCCl TS04951 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.6 CCCOCCN TS04012 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.6 CCCSC=CC TS04637 [1,0,0,0,0,0|1,0,1]=3 166 B6R0.6 CCCSCCC TS04756 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.6 CCCSCCO TS32433 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.6 CCCSSCC TS37066 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.6 CCCSSSC TS10513 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.6 CCC[Hg]CCC TS35002 [1,0,0,0,0,0|1,0,1]=3 171 B6R0.6 CCNCCC#N TS03784 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.6 CCNCCCN TS03975 [1,0,0,0,0,0|2,0,0]=3 173 B6R0.6 CCNCCNC TS03972 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.6 CCOC=CC#N TS03748 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.6 CCOCCC#N TS03822 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.6 CCOCCCBr TS12340 [1,0,0,0,0,0|2,0,0]=3 177 B6R0.6 CCOCCCCl TS04950 [1,0,0,0,0,0|2,0,0]=3 178 B6R0.6 CCOCCCN TS04010 [1,0,0,0,0,0|2,0,0]=3 179 B6R0.6 CCOCCCO TS04028 [1,0,0,0,0,0|1,0,0]=2 180 B6R0.6 CCOCCOC TS04027 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.6 CCOCOCC TS74492 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.6 CCSCCCO TS32432 [1,0,0,0,0,0|1,0,0]=2 183 B6R0.6 CCSSSCC TS10514 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.6 COCCCCBr TS03145 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.6 COCCCCCl TS39592 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.6 COCCCCO TS07977 [1,0,0,0,0,0|1,0,1]=3 187 B6R0.6 CSCCCCO TS32429 [1,0,0,0,0,0|1,0,1]=3 188 B6R0.6 [Li]CCCCCC TS03654 [1,0,0,0,0,0|1,0,1]=3 189 B8R0.1 C(CS)C(=O)OCCO TS40886 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.1 CCCC(=O)OCCC TS05549 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.1 CCCC(C)CCCO TS36530 [0,1,0,0,0,0|0,0,2]=3 192 B8R0.1 CCCCC(=O)C=CC TS05182 [0,1,0,0,0,0|1,0,1]=3 193 B8R0.1 CCCCC(=O)CCC TS36329 [0,1,0,0,0,0|1,0,1]=3 194 B8R0.1 CCCCC(=O)OCC TS36495 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.1 CCCCC(C)CCC TS05416 [0,1,0,0,0,0|1,0,2]=4 196 B8R0.1 CCCCC(C)CCO TS05597 [0,1,0,0,0,0|0,0,2]=3 197 B8R0.1 CCCCC(C=CC)O TS05375 [0,1,0,0,0,0|1,0,2]=4 198 B8R0.1 CCCCC(CCC)Br TS51606 [0,1,0,0,0,0|1,0,2]=4 199 B8R0.1 CCCCC(CCC)Cl TS07522 [0,1,0,0,0,0|1,0,2]=4 200 B8R0.1 CCCCC(CCC)I TS26461 [0,1,0,0,0,0|1,0,2]=4 201 B8R0.1 CCCCC(CCC)O TS36547 [0,1,0,0,0,0|1,0,2]=4 202 B8R0.1 CCCC[C@@H](C)CCO TS36538 [0,1,0,0,0,0|0,0,2]=3 203 B8R0.1 CCCOC(=O)C=CC TS05345 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.1 CCOC(=O)CCC=C TS05344 [0,1,0,0,0,0|2,0,1]=4 205 B8R0.1 CCOC(=O)CCC=O TS94704 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.1 CCOC(=O)CCCBr TS16550 [0,1,0,0,0,0|2,0,0]=3 207 B8R0.1 CCOC(=O)CCCCl TS93676 [0,1,0,0,0,0|2,0,0]=3 208 B8R0.1 CCOC(=O)CCCN TS43285 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [0,1,0,0,0,0|2,0,0]=3 210 B8R0.1 CCOCC(=O)OCC TS05732 [0,1,0,0,0,0|3,0,0]=4 211 B8R0.4 C#CCCCCCCO TS05177 [0,1,0,0,0,0|0,0,3]=4 212 B8R0.4 C(CCCBr)CCCBr TS68070 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.4 C(CCCCl)CCCCl TS44969 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.4 C(CCCN)CCCN TS05605 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.4 C(CCCN)CCCO TS36619 [0,1,0,0,0,0|0,0,2]=3 216 B8R0.4 C(CCCO)CCCBr TS55654 [0,1,0,0,0,0|0,0,2]=3 217 B8R0.4 C(CCCO)CCCO TS36690 [0,1,0,0,0,0|0,0,2]=3 218 B8R0.4 C(CCNCCO)CN TS36704 [0,1,0,0,0,0|1,0,2]=4 219 B8R0.4 C(CN)CNCCCN TS36625 [0,1,0,0,0,0|2,0,1]=4 220 B8R0.4 C(CN)COCCCN TS36713 [0,1,0,0,0,0|2,0,1]=4 221 B8R0.4 C(CNCCCO)CO TS02184 [0,1,0,0,0,0|1,0,1]=3 222 B8R0.4 C(CO)CSCCCO TS09957 [0,1,0,0,0,0|1,0,1]=3 223 B8R0.4 C(CSCSCCO)O TS44931 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.4 C=CCCCC=CCO TS05204 [0,1,0,0,0,0|2,0,0]=3 225 B8R0.4 C=CCCCCCCO TS05382 [0,1,0,0,0,0|0,0,3]=4 226 B8R0.4 CCC=CCCCCO TS36323 [0,1,0,0,0,0|0,0,0]=1 227 B8R0.4 CCC=CCCOC=O TS05352 [0,1,0,0,0,0|0,0,2]=3 228 B8R0.4 CCCC#CCCCCl TS07053 [0,1,0,0,0,0|1,0,2]=4 229 B8R0.4 CCCC=CC=CCO TS36154 [0,1,0,0,0,0|0,0,2]=3 230 B8R0.4 CCCC=CCOC=O TS05336 [0,1,0,0,0,0|1,0,2]=4 231 B8R0.4 CCCCC#CCCC TS05048 [0,1,0,0,0,0|1,0,2]=4 232 B8R0.4 CCCCC#CCCO TS36147 [0,1,0,0,0,0|0,0,3]=4 233 B8R0.4 CCCCC=CC=CC TS05047 [0,1,0,0,0,0|1,0,1]=3 234 B8R0.4 CCCCC=CCCC TS05206 [0,1,0,0,0,0|1,0,0]=2 235 B8R0.4 CCCCC=CCCO TS36327 [0,1,0,0,0,0|1,0,0]=2 236 B8R0.4 CCCCC=COCC TS05398 [0,1,0,0,0,0|1,0,0]=2 237 B8R0.4 CCCCCC#CCC TS05059 [0,1,0,0,0,0|1,0,2]=4 238 B8R0.4 CCCCCC#CCO TS05190 [0,1,0,0,0,0|0,0,3]=4 239 B8R0.4 CCCCCC=CC=O TS36157 [0,1,0,0,0,0|2,0,1]=4 240 B8R0.4 CCCCCC=CCC TS36181 [0,1,0,0,0,0|1,0,0]=2 241 B8R0.4 CCCCCC=CCO TS05393 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.4 CCCCCCC=CC TS05227 [0,1,0,0,0,0|1,0,2]=4 243 B8R0.4 CCCCCCC=NO TS36429 [0,1,0,0,0,0|0,0,3]=4 244 B8R0.4 CCCCCCCC#C TS05045 [0,1,0,0,0,0|1,0,2]=4 245 B8R0.4 CCCCCCCC#N TS05112 [0,1,0,0,0,0|1,0,2]=4 246 B8R0.4 CCCCCCCC=C TS05208 [0,1,0,0,0,0|1,0,2]=4 247 B8R0.4 CCCCCCCC=O TS05399 [0,1,0,0,0,0|0,0,3]=4 248 B8R0.4 CCCCCCCCBr TS00038 [0,1,0,0,0,0|1,0,2]=4 249 B8R0.4 CCCCCCCCC TS05427 [0,1,0,0,0,0|1,0,2]=4 250 B8R0.4 CCCCCCCCCl TS07517 [0,1,0,0,0,0|1,0,2]=4 251 B8R0.4 CCCCCCCCF TS05771 [0,1,0,0,0,0|1,0,2]=4 252 B8R0.4 CCCCCCCCN TS05489 [0,1,0,0,0,0|1,0,2]=4 253 B8R0.4 CCCCCCCCN TS12120 [0,1,0,0,0,0|1,0,2]=4 254 B8R0.4 CCCCCCCCN TS20855 [0,1,0,0,0,0|1,0,2]=4 255 B8R0.4 CCCCCCCCO TS36550 [0,1,0,0,0,0|0,0,2]=3 256 B8R0.4 CCCCCCCCS TS40481 [0,1,0,0,0,0|0,1,2]=4 257 B8R0.4 CCCCCCCC[Si] TS07042 [0,1,0,0,0,0|1,0,2]=4 258 B8R0.4 CCCCCCCNC TS05499 [0,1,0,0,0,0|1,0,2]=4 259 B8R0.4 CCCCCCNCC TS05500 [0,1,0,0,0,0|1,0,2]=4 260 B8R0.4 CCCCCCSCC TS40479 [0,1,0,0,0,0|1,0,2]=4 261 B8R0.4 CCCCCNCCO TS36622 [0,1,0,0,0,0|0,0,2]=3 262 B8R0.4 CCCCCOCCO TS36691 [0,1,0,0,0,0|0,0,2]=3 263 B8R0.4 CCCCNCCCC TS55846 [0,1,0,0,0,0|1,0,2]=4 264 B8R0.4 CCCCOCCCC TS05599 [0,1,0,0,0,0|1,0,2]=4 265 B8R0.4 CCCCOCCCN TS36614 [0,1,0,0,0,0|1,0,2]=4 266 B8R0.4 CCCCPCCCC TS40455 [0,1,0,0,0,0|1,0,2]=4 267 B8R0.4 CCCCSCCCC TS40480 [0,1,0,0,0,0|1,0,2]=4 268 B8R0.4 CCCC[GeH2]CCCC TS16104 [0,1,0,0,0,0|1,0,2]=4 269 B8R0.4 CCCC[Hg]CCCC TS76737 [0,1,0,0,0,0|1,0,2]=4 270 B8R0.4 CCCC[NH2+]CCCC TS49201 [0,1,0,0,0,0|1,0,2]=4 271 B8R0.4 CCCC[Sn+2]CCCC TS64754 [0,1,0,0,0,0|1,0,2]=4 272 B8R0.4 CCCC[Sn+2]CCCC TS78833 [0,1,0,0,0,0|1,0,2]=4 273 B8R0.4 CCCC[Sn+2]CCCC TS79757 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.4 CCCC[Te]CCCC TS57621 [0,1,0,0,0,0|1,0,2]=4 275 B8R0.4 CCCC[Zn]CCCC TS14479 [0,1,0,0,0,0|1,0,2]=4 276 B8R0.4 CCCOCOCCC TS05761 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.4 CCNCCCNCC TS05606 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.4 CCOCCOCCO TS05898 [0,1,0,0,0,0|1,0,1]=3 279 B8R0.4 CNCCCCCCO TS36615 [0,1,0,0,0,0|0,0,2]=3 280 B8R0.4 COCCCCCOC TS36689 [0,1,0,0,0,0|1,0,2]=4 281 B8R0.4 COCCOCCCBr TS53805 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.4 COCCOCCCN TS05831 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.4 [B+](CCCC)CCCC TS33566 [0,1,0,0,0,0|1,0,2]=4 284 B8R0.6 C(CCO)CC(CO)O TS05901 [0,1,0,0,0,0|1,0,2]=4 285 B8R0.6 CCC#CCC(CC)O TS05178 [0,1,0,0,0,0|1,0,2]=4 286 B8R0.6 CCC(C)CCCCO TS36535 [0,1,0,0,0,0|0,0,2]=3 287 B8R0.6 CCCC=CC(=O)OC TS36302 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.6 CCCCCC(=O)CC TS36343 [0,1,0,0,0,0|1,0,1]=3 289 B8R0.6 CCCCCC(=O)OC TS36499 [0,1,0,0,0,0|2,0,1]=4 290 B8R0.6 CCCCCC(C)CC TS05415 [0,1,0,0,0,0|1,0,2]=4 291 B8R0.6 CCCCCC(C)CO TS36542 [0,1,0,0,0,0|0,0,2]=3 292 B8R0.6 CCCCCC(CC)Br TS51604 [0,1,0,0,0,0|1,0,2]=4 293 B8R0.6 CCCCCC(CC)Cl TS07523 [0,1,0,0,0,0|1,0,2]=4 294 B8R0.6 CCCCCC(CC)O TS36536 [0,1,0,0,0,0|1,0,2]=4 295 B8R0.6 CCCCCC(CO)O TS05756 [0,1,0,0,0,0|0,0,2]=3 296 B8R0.6 CCCCNC(=O)CC TS36435 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.6 CCCCNC(=O)CCl TS40802 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.6 CCCCNC(=O)OC TS36586 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.6 CCCCOC(=O)CC TS05554 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.6 CCCCOC(=O)CCl TS09968 [0,1,0,0,0,0|3,0,0]=4 301 B8R0.6 CCCCOC(=O)CF TS05889 [0,1,0,0,0,0|3,0,0]=4 302 B8R0.6 CCCCOC(=O)CN TS12446 [0,1,0,0,0,0|3,0,0]=4 303 B8R0.6 CCCCOC(=O)CO TS05729 [0,1,0,0,0,0|3,0,0]=4 304 B8R0.6 CCCCOC(=O)CS TS07490 [0,1,0,0,0,0|3,0,0]=4 305 B8R0.6 CC[C@H](C)CCCCO TS05594 [0,1,0,0,0,0|0,0,2]=3 306 B8R0.6 COC(=O)CCCCBr TS51950 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.6 COC(=O)CCCCCl TS09970 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.7 B(C=CCCCC)(O)O TS05299 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.7 B(C=CCCCCl)(O)O TS40695 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.7 B(CCCCCC)(O)O TS32717 [0,1,0,0,0,0|1,0,2]=4 311 B8R0.7 CC(C)CCCCCBr TS51602 [0,1,0,0,0,0|1,0,2]=4 312 B8R0.7 CC(C)CCCCCN TS05491 [0,1,0,0,0,0|1,0,2]=4 313 B8R0.7 CC(C)COCCCN TS36620 [0,1,0,0,0,0|2,0,1]=4 314 B8R0.7 CC(C)NCCCCO TS93789 [0,1,0,0,0,0|1,0,1]=3 315 B8R0.7 CCC#CCCC(C)C TS05053 [0,1,0,0,0,0|1,0,2]=4 316 B8R0.7 CCCC#CCC(C)O TS36161 [0,1,0,0,0,0|0,0,3]=4 317 B8R0.7 CCCC=CCC(=O)O TS36290 [0,1,0,0,0,0|0,0,3]=4 318 B8R0.7 CCCCC=CC(=O)C TS05179 [0,1,0,0,0,0|1,0,1]=3 319 B8R0.7 CCCCC=CC(=O)Cl TS07286 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.7 CCCCC=CC(=O)O TS05335 [0,1,0,0,0,0|2,0,1]=4 321 B8R0.7 CCCCC=CC(C)O TS05371 [0,1,0,0,0,0|1,0,0]=2 322 B8R0.7 CCCCCCC(=O)O TS05558 [0,1,0,0,0,0|0,0,3]=4 323 B8R0.7 CCCCCCC(C)Br TS51603 [0,1,0,0,0,0|1,0,2]=4 324 B8R0.7 CCCCCCC(C)C TS05423 [0,1,0,0,0,0|1,0,2]=4 325 B8R0.7 CCCCCCC(C)Cl TS07520 [0,1,0,0,0,0|1,0,2]=4 326 B8R0.7 CCCCCCC(C)I TS26460 [0,1,0,0,0,0|1,0,2]=4 327 B8R0.7 CCCCCCC(C)N TS05493 [0,1,0,0,0,0|1,0,2]=4 328 B8R0.7 CCCCCCC(C)O TS05590 [0,1,0,0,0,0|0,0,2]=3 329 B8R0.7 CCCCCCC(C)S TS40477 [0,1,0,0,0,0|0,1,2]=4 330 B8R0.7 CCCCCC[C@@H](C)N TS05497 [0,1,0,0,0,0|1,0,2]=4 331 B8R0.7 CCCCCC[C@@H](C)O TS05598 [0,1,0,0,0,0|0,0,2]=3 332 B8R0.7 CCCCCC[C@H](C)N TS05488 [0,1,0,0,0,0|1,0,2]=4 333 B8R0.7 CCCCCC[C@H](C)O TS46634 [0,1,0,0,0,0|0,0,2]=3 334 B8R0.7 CCCCOCC(C)O TS05758 [0,1,0,0,0,0|1,0,2]=4 335 B8R1.2 C1CC(CC=C1)C#N TS04114 [0,0,0,1,0,0|1,0,1]=3 336 B8R1.2 C1CC(CC=C1)C=O TS60200 [0,0,0,1,0,0|0,0,2]=3 337 B8R1.2 C1CC(CC=C1)CO TS31925 [0,0,0,1,0,0|0,0,0]=1 338 B8R1.2 C1CC(CC=C1)CO TS93417 [0,0,0,1,0,0|0,0,0]=1 339 B8R1.2 C1CC(CNC1)CO TS88392 [0,0,0,1,0,0|1,0,1]=3 340 B8R1.2 C1CC(COC1)CBr TS86643 [0,0,0,1,0,0|2,0,1]=4 341 B8R1.2 C1CC(COC1)CN TS46681 [0,0,0,1,0,0|2,0,1]=4 342 B8R1.2 C1CC(COC1)CO TS86137 [0,0,0,1,0,0|1,0,1]=3 343 B8R1.2 C1CC(OC=C1)C=O TS89129 [0,0,0,1,0,0|1,0,2]=4 344 B8R1.2 C1CC(OC=C1)CO TS04428 [0,0,0,1,0,0|1,0,0]=2 345 B8R1.2 C1CCC(=CC1)C#N TS04115 [0,0,0,1,0,0|2,0,1]=4 346 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,0,0,1,0,0|2,0,1]=4 347 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,0,0,1,0,0|2,0,0]=3 348 B8R1.2 C1CCC(CC1)CBr TS46572 [0,0,0,1,0,0|1,0,2]=4 349 B8R1.2 C1CCC(CC1)CCl TS36740 [0,0,0,1,0,0|1,0,2]=4 350 B8R1.2 C1CCC(CC1)CN TS04402 [0,0,0,1,0,0|1,0,2]=4 351 B8R1.2 C1CCC(CC1)CO TS04473 [0,0,0,1,0,0|0,0,2]=3 352 B8R1.2 C1CCC(CC1)CS TS05617 [0,0,0,1,0,0|0,1,2]=4 353 B8R1.2 C1CCC(CC1)NO TS10098 [0,0,0,1,0,0|1,0,2]=4 354 B8R1.2 C1CCN(CC1)CO TS32161 [0,0,0,1,0,0|1,0,2]=4 355 B8R1.2 C1CCNC(C1)CO TS02460 [0,0,0,1,0,0|1,0,2]=4 356 B8R1.2 C1CCOC(C1)CCl TS05953 [0,0,0,1,0,0|1,0,2]=4 357 B8R1.2 C1CCOC(C1)CN TS59436 [0,0,0,1,0,0|1,0,2]=4 358 B8R1.2 C1CCOC(C1)CN TS59437 [0,0,0,1,0,0|1,0,2]=4 359 B8R1.2 C1CCOC(C1)CO TS59577 [0,0,0,1,0,0|1,0,2]=4 360 B8R1.2 C1CN(CCN1)CO TS04601 [0,0,0,1,0,0|2,0,1]=4 361 B8R1.2 C1CNCCC1CF TS86720 [0,0,0,1,0,0|2,0,1]=4 362 B8R1.2 C1CNCCC1CN TS16890 [0,0,0,1,0,0|2,0,1]=4 363 B8R1.2 C1CNCCC1CO TS85529 [0,0,0,1,0,0|1,0,1]=3 364 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [0,0,0,1,0,0|2,0,1]=4 365 B8R1.2 C1COC(CN1)CO TS55399 [0,0,0,1,0,0|2,0,1]=4 366 B8R1.2 C1COCC(N1)CO TS02790 [0,0,0,1,0,0|2,0,1]=4 367 B8R1.2 C1COCC(N1)CO TS41317 [0,0,0,1,0,0|2,0,1]=4 368 B8R1.2 C1COCCC1CBr TS16902 [0,0,0,1,0,0|2,0,1]=4 369 B8R1.2 C1COCCC1CI TS24100 [0,0,0,1,0,0|2,0,1]=4 370 B8R1.2 C1COCCC1CN TS03003 [0,0,0,1,0,0|2,0,1]=4 371 B8R1.2 C1COCCC1CN TS07685 [0,0,0,1,0,0|2,0,1]=4 372 B8R1.2 C1COCCC1CO TS59440 [0,0,0,1,0,0|1,0,1]=3 373 B8R1.2 C1COC[C@@H](N1)CO TS41310 [0,0,0,1,0,0|2,0,1]=4 374 B8R1.2 C1COC[C@H](N1)CO TS32280 [0,0,0,1,0,0|2,0,1]=4 375 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [0,0,0,1,0,0|2,0,1]=4 376 B8R1.2 C1CO[C@H](CN1)CO TS46590 [0,0,0,1,0,0|2,0,1]=4 377 B8R1.2 C1CSCCC1CN TS91963 [0,0,0,1,0,0|2,0,1]=4 378 B8R1.2 C1CSCCC1CO TS90016 [0,0,0,1,0,0|1,0,1]=3 379 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,0,0,1,0,0|1,0,1]=3 380 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,0,0,1,0,0|1,0,1]=3 381 B8R1.2 CCC1=CCC=CC1 TS04142 [0,0,0,1,0,0|1,0,2]=4 382 B8R1.2 CCC1=CCCCC1 TS31842 [0,0,0,1,0,0|1,0,0]=2 383 B8R1.2 CCC1CCCCC1 TS04342 [0,0,0,1,0,0|1,0,2]=4 384 B8R1.2 CCC1CCCCN1 TS04398 [0,0,0,1,0,0|1,0,2]=4 385 B8R1.2 CCN1CCCCC1 TS00439 [0,0,0,1,0,0|2,0,1]=4 386 B8R1.2 CCN1CCCCC1 TS32031 [0,0,0,1,0,0|2,0,1]=4 387 B8R1.2 CNC1CCC=CO1 TS32011 [0,0,0,1,0,0|3,0,0]=4 388 B8R1.2 COC1=CCCCC1 TS04308 [0,0,0,1,0,0|2,0,0]=3 389 B8R1.2 COC1=CCOCC1 TS04435 [0,0,0,1,0,0|3,0,0]=4 390 B8R1.2 COC1=NCCCC1 TS04387 [0,0,0,1,0,0|2,0,1]=4 391 B8R1.2 COC1CCC=CO1 TS04445 [0,0,0,1,0,0|3,0,0]=4 392 B8R1.2 CSC1=NCCCN1 TS68095 [0,0,0,1,0,0|3,0,0]=4 393 B8R1.2 CSC1=NCCCS1 TS40582 [0,0,0,1,0,0|2,1,0]=4 394 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,0,0,1,0,0|1,0,2]=4 395 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,0,0,1,0,0|1,0,2]=4 396 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,0,0,1,0,0|1,0,2]=4 397 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,0,0,1,0,0|1,0,2]=4 398 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,0,0,1,0,0|1,0,2]=4 399 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,0,0,1,0,0|1,0,2]=4 400 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,0,0,1,0,0|1,0,2]=4 401 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,0,0,1,0,0|1,0,2]=4 402 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,0,0,1,0,0|1,0,2]=4 403 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,0,0,1,0,0|1,0,2]=4 404 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,0,0,1,0,0|1,0,2]=4 405 B8R1.5 C1CNC[C@H]([C@@H]1O)F TS92239 [0,0,0,1,0,0|2,0,1]=4 406 B8R1.5 C1CNC[C@H]([C@H]1O)F TS92722 [0,0,0,1,0,0|2,0,1]=4 407 B8R1.5 C1COC[C@@H]([C@H]1O)N TS88734 [0,0,0,1,0,0|2,0,1]=4 408 B8R1.5 C1COC[C@H]([C@@H]1O)N TS90817 [0,0,0,1,0,0|2,0,1]=4 409 B8R1.5 CC1CCCC=C1C TS31849 [0,0,0,1,0,0|1,0,2]=4 410 B8R1.5 CC1CCCCC1C TS31973 [0,0,0,1,0,0|1,0,2]=4 411 B8R1.5 CC1CCCCC1N TS32030 [0,0,0,1,0,0|1,0,2]=4 412 B8R1.5 CC1CCCCC1O TS32109 [0,0,0,1,0,0|0,0,2]=3 413 B8R1.5 CC1CCCNC1C TS22984 [0,0,0,1,0,0|2,0,1]=4 414 B8R1.5 CC1CCNCC1O TS92278 [0,0,0,1,0,0|1,0,2]=4 415 B8R1.5 CC1CNCCC1O TS03118 [0,0,0,1,0,0|1,0,1]=3 416 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,0,0,1,0,0|1,0,2]=4 417 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,0,0,1,0,0|1,0,2]=4 418 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,0,0,1,0,0|0,0,2]=3 419 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [0,0,0,1,0,0|1,0,2]=4 420 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [0,0,0,1,0,0|1,0,2]=4 421 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [0,0,0,1,0,0|1,0,2]=4 422 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [0,0,0,1,0,0|2,0,1]=4 423 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [0,0,0,1,0,0|2,0,1]=4 424 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,0,0,1,0,0|0,0,2]=3 425 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [0,0,0,1,0,0|1,0,2]=4 426 B8R1.8 C1CC(NC1)CCO TS91871 [0,0,0,1,0,0|1,0,1]=3 427 B8R1.8 C1CCC(C1)CCN TS00978 [0,0,0,1,0,0|1,0,2]=4 428 B8R1.8 C1CCC(C1)CCO TS04478 [0,0,0,1,0,0|0,0,2]=3 429 B8R1.8 C1CCN(C1)CCO TS32173 [0,0,0,1,0,0|1,0,2]=4 430 B8R1.8 C1CNCC1CCO TS88089 [0,0,0,1,0,0|1,0,1]=3 431 B8R1.8 C1COCN1CCO TS04674 [0,0,0,1,0,0|2,0,1]=4 432 B8R1.8 CCCC1=NCCN1 TS04325 [0,0,0,1,0,0|2,0,1]=4 433 B8R1.8 CCCC1CCCC1 TS31955 [0,0,0,1,0,0|1,0,2]=4 434 B8R1.8 CCCC1CCCC1 TS57165 [0,0,0,1,0,0|1,0,2]=4 435 B8R1.8 CCCC1CCCC1 TS67057 [0,0,0,1,0,0|1,0,2]=4 436 B8R1.8 CCCC1CCCC1 TS69588 [0,0,0,1,0,0|1,0,2]=4 437 B8R1.8 CCCC1CCCC1 TS69915 [0,0,0,1,0,0|1,0,2]=4 438 B8R1.8 CCCC1CCCC1 TS72093 [0,0,0,1,0,0|1,0,2]=4 439 B8R1.8 CCCC1CCCC1 TS72534 [0,0,0,1,0,0|1,0,2]=4 440 B8R1.8 CCCC1CCCC1 TS81524 [0,0,0,1,0,0|1,0,2]=4 441 B8R1.8 CCCC1CCCC1 TS82572 [0,0,0,1,0,0|1,0,2]=4 442 B8R1.8 CCCC1CCCC1 TS82652 [0,0,0,1,0,0|1,0,2]=4 443 B8R1.8 CCOC1CCCO1 TS04591 [0,0,0,1,0,0|1,0,1]=3 444 B8R1.8 CNCC1CCCO1 TS32151 [0,0,0,1,0,0|1,0,2]=4 445 B8R1.8 COCC1CCCO1 TS04584 [0,0,0,1,0,0|1,0,2]=4 446 B8R1.8 c1cc(oc1)CCO TS31915 [0,0,0,1,0,0|1,0,2]=4 447 B8R1.8 c1cc(sc1)CCO TS65661 [0,0,0,1,0,0|1,0,2]=4 448 B8R1.8 c1ccn(c1)CCO TS31872 [0,0,0,1,0,0|1,0,2]=4 449 B8R1.8 c1cn(cn1)CCO TS04290 [0,0,0,1,0,0|2,0,1]=4 450 B8R1.8 c1cn(nn1)CCO TS04380 [0,0,0,1,0,0|3,0,0]=4 451 B8R1.8 c1cnn(c1)CCO TS04285 [0,0,0,1,0,0|2,0,1]=4 452 B8R1.8 c1csc[n+]1CCO TS20846 [0,0,0,1,0,0|2,0,1]=4 453 B8R1.8 c1cscc1CCO TS01729 [0,0,0,1,0,0|1,0,2]=4 454 B8R1.8 c1cscc1CCO TS37040 [0,0,0,1,0,0|1,0,2]=4 455 B8R1.11 C1CC(=O)C(=C1)CO TS31910 [0,0,0,1,0,0|1,0,2]=4 456 B8R1.11 C1CO[C@@H]([C@H]1O)CO TS32319 [0,0,0,1,0,0|2,0,1]=4 457 B8R1.11 CCC1=C(CCC1)C TS04224 [0,0,0,1,0,0|1,0,2]=4 458 B8R1.11 CCC1CCCC1C TS67055 [0,0,0,1,0,0|1,0,2]=4 459 B8R1.11 CN1CCCC1CO TS46985 [0,0,0,1,0,0|1,0,2]=4 460 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,0,0,1,0,0|1,0,2]=4 461 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,0,0,1,0,0|1,0,2]=4 462 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [0,0,0,1,0,0|1,0,1]=3 463 B8R1.11 Cn1ccnc1CO TS00467 [0,0,0,1,0,0|2,0,1]=4 464 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,0,0,1,0,0|0,0,2]=3 465 B8R1.22 C1CC(CCNC1)F TS91335 [0,0,0,1,0,0|2,0,1]=4 466 B8R1.22 C1CC(CCNC1)N TS04492 [0,0,0,1,0,0|2,0,1]=4 467 B8R1.22 C1CC(CCNC1)O TS01362 [0,0,0,1,0,0|1,0,1]=3 468 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,1,0,0|2,0,1]=4 469 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,1,0,0|1,0,2]=4 470 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,1,0,0|1,0,2]=4 471 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,1,0,0|1,0,2]=4 472 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,1,0,0|0,0,2]=3 473 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,1,0,0|1,0,2]=4 474 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,1,0,0|1,0,2]=4 475 B8R1.22 CC1OCCCCO1 TS32214 [0,0,0,1,0,0|1,0,1]=3 476 B8R1.36 C1C(O1)CCCCBr TS33001 [0,0,0,1,0,0|1,0,2]=4 477 B8R1.36 CCCCCC1CO1 TS04480 [0,0,0,1,0,0|0,0,2]=3 478 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [0,0,0,1,0,0|0,0,2]=3 479 B8R1.36 CCCNCC1CC1 TS32029 [0,0,0,1,0,0|2,0,1]=4 480 B8R1.36 CCCOCC1CO1 TS32209 [0,0,0,1,0,0|1,0,1]=3 481 B8R1.49 C1CC=CCCC=C1 TS01896 [0,0,0,1,0,0|1,0,1]=3 482 B8R1.49 C1CC=CCCC=C1 TS34179 [0,0,0,1,0,0|1,0,1]=3 483 B8R1.49 C1CC=CCCC=C1 TS54864 [0,0,0,1,0,0|1,0,1]=3 484 B8R1.49 C1CC=CCCC=C1 TS63838 [0,0,0,1,0,0|1,0,1]=3 485 B8R1.49 C1CC=CCCC=C1 TS72200 [0,0,0,1,0,0|1,0,1]=3 486 B8R1.49 C1CC=CCCC=C1 TS80341 [0,0,0,1,0,0|1,0,1]=3 487 B8R1.49 C1CC=CCCC=C1 TS81264 [0,0,0,1,0,0|1,0,1]=3 488 B8R1.49 C1CC=CCCC=C1 TS83164 [0,0,0,1,0,0|1,0,1]=3 489 B8R1.49 C1CCCCCCC1 TS04358 [0,0,0,1,0,0|1,0,2]=4 490 B8R1.49 C1CCCNCCC1 TS32033 [0,0,0,1,0,0|1,0,2]=4 491 B8R1.49 C1COCOCCO1 TS04709 [0,0,0,1,0,0|2,0,1]=4 492 B5R0.2 C#CC=CCO TS03460 [2,0,0,0,0,0|0,0,2]=4 493 B5R0.2 C#CCCCO TS71278 [2,0,0,0,0,0|0,0,2]=4 494 B5R0.2 C(C=CCBr)Br TS39560 [2,0,0,0,0,0|2,0,0]=4 495 B5R0.2 C(C=CCCl)Cl TS00388 [2,0,0,0,0,0|2,0,0]=4 496 B5R0.2 C(C=CCCl)Cl TS55820 [2,0,0,0,0,0|2,0,0]=4 497 B5R0.2 C(C=CCCl)N TS06635 [2,0,0,0,0,0|2,0,0]=4 498 B5R0.2 C(C=CCCl)O TS31740 [2,0,0,0,0,0|1,0,0]=3 499 B5R0.2 C(C=CCO)O TS33234 [2,0,0,0,0,0|1,0,0]=3 500 B5R0.2 C(CCBr)CBr TS07886 [2,0,0,0,0,0|2,0,0]=4 501 B5R0.2 C(CCBr)CCl TS45376 [2,0,0,0,0,0|2,0,0]=4 502 B5R0.2 C(CCBr)CF TS10539 [2,0,0,0,0,0|2,0,0]=4 503 B5R0.2 C(CCBr)CO TS39737 [2,0,0,0,0,0|1,0,0]=3 504 B5R0.2 C(CCCl)CCl TS36204 [2,0,0,0,0,0|2,0,0]=4 505 B5R0.2 C(CCCl)CO TS33155 [2,0,0,0,0,0|1,0,0]=3 506 B5R0.2 C(CCF)CF TS03666 [2,0,0,0,0,0|2,0,0]=4 507 B5R0.2 C(CCF)CO TS03655 [2,0,0,0,0,0|1,0,0]=3 508 B5R0.2 C(CCI)CCl TS49510 [2,0,0,0,0,0|2,0,0]=4 509 B5R0.2 C(CCI)CI TS76368 [2,0,0,0,0,0|2,0,0]=4 510 B5R0.2 C(CCO)CN TS03609 [2,0,0,0,0,0|1,0,0]=3 511 B5R0.2 C(CCO)CO TS00383 [2,0,0,0,0,0|1,0,0]=3 512 B5R0.2 C(CCS)CO TS04107 [2,0,0,0,0,0|1,0,0]=3 513 B5R0.2 C(CCS)CS TS04933 [2,0,0,0,0,0|1,1,0]=4 514 B5R0.2 C(CC[Zn+])CCl TS25983 [2,0,0,0,0,0|2,0,0]=4 515 B5R0.2 C(CO)NCO TS03642 [2,0,0,0,0,0|2,0,0]=4 516 B5R0.2 C=CCCC#N TS03446 [2,0,0,0,0,0|1,0,1]=4 517 B5R0.2 C=CCCC=C TS39876 [2,0,0,0,0,0|1,0,1]=4 518 B5R0.2 C=CCCC=O TS03486 [2,0,0,0,0,0|0,0,2]=4 519 B5R0.2 C=CCCCBr TS71399 [2,0,0,0,0,0|1,0,0]=3 520 B5R0.2 C=CCCCCl TS04057 [2,0,0,0,0,0|1,0,0]=3 521 B5R0.2 C=CCCCN TS03513 [2,0,0,0,0,0|1,0,0]=3 522 B5R0.2 C=CCCCN TS04880 [2,0,0,0,0,0|1,0,0]=3 523 B5R0.2 C=CCCCO TS33172 [2,0,0,0,0,0|0,0,0]=2 524 B5R0.2 C=CCCC[Zn+] TS44589 [2,0,0,0,0,0|1,0,0]=3 525 B5R0.2 C=CCC[Mg]Br TS42097 [2,0,0,0,0,0|2,0,0]=4 526 B5R0.2 C=COCCO TS03575 [2,0,0,0,0,0|1,0,0]=3 527 B5R0.2 CC=CC=CC TS71681 [2,0,0,0,0,0|0,0,2]=4 528 B5R0.2 CC=CC=CC TS71684 [2,0,0,0,0,0|0,0,2]=4 529 B5R0.2 CC=CCCO TS71749 [2,0,0,0,0,0|0,0,0]=2 530 B5R0.2 CC=CC[Mg]Cl TS32134 [2,0,0,0,0,0|2,0,0]=4 531 B5R0.2 CCC#CCC TS71689 [2,0,0,0,0,0|0,0,2]=4 532 B5R0.2 CCC#CCO TS65626 [2,0,0,0,0,0|0,0,2]=4 533 B5R0.2 CCC=CC=C TS03467 [2,0,0,0,0,0|0,0,2]=4 534 B5R0.2 CCC=CC=O TS03498 [2,0,0,0,0,0|0,0,2]=4 535 B5R0.2 CCCC#CC TS71682 [2,0,0,0,0,0|0,0,2]=4 536 B5R0.2 CCCC=NO TS03560 [2,0,0,0,0,0|1,0,1]=4 537 B5R0.2 CCCCC#C TS71687 [2,0,0,0,0,0|1,0,1]=4 538 B5R0.2 CCCCC#N TS71704 [2,0,0,0,0,0|1,0,1]=4 539 B5R0.2 CCCCC=C TS71713 [2,0,0,0,0,0|1,0,0]=3 540 B5R0.2 CCCCC=O TS71764 [2,0,0,0,0,0|0,0,2]=4 541 B5R0.2 CCCCCBr TS00039 [2,0,0,0,0,0|1,0,0]=3 542 B5R0.2 CCCCCCl TS31742 [2,0,0,0,0,0|1,0,0]=3 543 B5R0.2 CCCCCF TS71848 [2,0,0,0,0,0|1,0,0]=3 544 B5R0.2 CCCCCI TS18547 [2,0,0,0,0,0|1,0,0]=3 545 B5R0.2 CCCCCN TS71782 [2,0,0,0,0,0|1,0,0]=3 546 B5R0.2 CCCCCO TS46186 [2,0,0,0,0,0|0,0,0]=2 547 B5R0.2 CCCCCO TS71798 [2,0,0,0,0,0|0,0,0]=2 548 B5R0.2 CCCCCS TS31699 [2,0,0,0,0,0|0,1,0]=3 549 B5R0.2 CCCCC[Si] TS03986 [2,0,0,0,0,0|1,0,0]=3 550 B5R0.2 CCCCC[Zn+] TS49168 [2,0,0,0,0,0|1,0,0]=3 551 B5R0.2 CCCCNC TS71774 [2,0,0,0,0,0|1,0,1]=4 552 B5R0.2 CCCCNN TS14187 [2,0,0,0,0,0|2,0,0]=4 553 B5R0.2 CCCCNN TS36035 [2,0,0,0,0,0|2,0,0]=4 554 B5R0.2 CCCCON TS36085 [2,0,0,0,0,0|2,0,0]=4 555 B5R0.2 CCCCON TS93805 [2,0,0,0,0,0|2,0,0]=4 556 B5R0.2 CCCCSC TS31691 [2,0,0,0,0,0|1,0,1]=4 557 B5R0.2 CCCC[Mg]Br TS11455 [2,0,0,0,0,0|2,0,0]=4 558 B5R0.2 CCCC[Mg]Cl TS32260 [2,0,0,0,0,0|2,0,0]=4 559 B5R0.2 CCCC[N+]#[C-] TS71702 [2,0,0,0,0,0|2,0,0]=4 560 B5R0.2 CCCC[Sn]=O TS17583 [2,0,0,0,0,0|1,0,1]=4 561 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,0]=3 562 B5R0.2 CCCOC=C TS29507 [2,0,0,0,0,0|1,0,1]=4 563 B5R0.2 CCCOC=O TS03584 [2,0,0,0,0,0|2,0,0]=4 564 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|1,0,0]=3 565 B5R0.2 CCCOCCl TS04165 [2,0,0,0,0,0|2,0,0]=4 566 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|1,0,0]=3 567 B5R0.2 CCCSSC TS04934 [2,0,0,0,0,0|2,0,0]=4 568 B5R0.2 CCN=NCC TS03539 [2,0,0,0,0,0|2,0,0]=4 569 B5R0.2 CCNCCN TS71809 [2,0,0,0,0,0|2,0,0]=4 570 B5R0.2 CCNCCO TS00085 [2,0,0,0,0,0|1,0,0]=3 571 B5R0.2 CCNNCC TS11360 [2,0,0,0,0,0|2,0,0]=4 572 B5R0.2 CCNNCC TS71806 [2,0,0,0,0,0|2,0,0]=4 573 B5R0.2 CCOC=CBr TS40963 [2,0,0,0,0,0|2,0,0]=4 574 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|1,0,0]=3 575 B5R0.2 CCOCC=C TS71744 [2,0,0,0,0,0|2,0,0]=4 576 B5R0.2 CCOCCBr TS10269 [2,0,0,0,0,0|2,0,0]=4 577 B5R0.2 CCOCCCl TS04162 [2,0,0,0,0,0|2,0,0]=4 578 B5R0.2 CCOCCO TS71837 [2,0,0,0,0,0|1,0,0]=3 579 B5R0.2 CCSCC=C TS03981 [2,0,0,0,0,0|2,0,0]=4 580 B5R0.2 CCSCCBr TS44968 [2,0,0,0,0,0|2,0,0]=4 581 B5R0.2 CCSCCCl TS36036 [2,0,0,0,0,0|2,0,0]=4 582 B5R0.2 CCSCCN TS31712 [2,0,0,0,0,0|2,0,0]=4 583 B5R0.2 CCSCCN TS37539 [2,0,0,0,0,0|2,0,0]=4 584 B5R0.2 CCSCCO TS59769 [2,0,0,0,0,0|1,0,0]=3 585 B5R0.2 CCSSCC TS59782 [2,0,0,0,0,0|2,0,0]=4 586 B5R0.2 CC[Se][Se]CC TS44786 [2,0,0,0,0,0|2,0,0]=4 587 B5R0.2 CNCCCCl TS40140 [2,0,0,0,0,0|2,0,0]=4 588 B5R0.2 CNCCCN TS71808 [2,0,0,0,0,0|2,0,0]=4 589 B5R0.2 COCCCBr TS10272 [2,0,0,0,0,0|2,0,0]=4 590 B5R0.2 COCCCCl TS04163 [2,0,0,0,0,0|2,0,0]=4 591 B5R0.2 COCCCN TS03603 [2,0,0,0,0,0|2,0,0]=4 592 B5R0.2 COCCCO TS70643 [2,0,0,0,0,0|1,0,0]=3 593 B5R0.2 CSCCCN TS65714 [2,0,0,0,0,0|2,0,0]=4 594 B5R0.2 CSCCCO TS04105 [2,0,0,0,0,0|1,0,0]=3 595 B7R0.3 C(CC(=O)NN)CO TS32340 [1,1,0,0,0,0|2,0,0]=4 596 B7R0.3 C(CC(CO)O)CO TS32424 [1,1,0,0,0,0|1,0,1]=4 597 B7R0.3 C=CC(=O)OCCO TS56178 [1,1,0,0,0,0|1,0,1]=4 598 B7R0.3 CC=CCC(C)C=C TS31844 [1,1,0,0,0,0|1,0,1]=4 599 B7R0.3 CCC#CC(CC)O TS31952 [1,1,0,0,0,0|0,0,2]=4 600 B7R0.3 CCC(=CCC=C)C TS04221 [1,1,0,0,0,0|0,0,2]=4 601 B7R0.3 CCC(=O)NCCO TS32284 [1,1,0,0,0,0|1,0,0]=3 602 B7R0.3 CCC(C)CC=CC TS31972 [1,1,0,0,0,0|1,0,0]=3 603 B7R0.3 CCC(C=CC=O)O TS04431 [1,1,0,0,0,0|1,0,1]=4 604 B7R0.3 CCC=CC(=O)OC TS56262 [1,1,0,0,0,0|1,0,1]=4 605 B7R0.3 CCC=CC(C)CC TS31968 [1,1,0,0,0,0|0,0,0]=2 606 B7R0.3 CCCCC(=C)CC TS04366 [1,1,0,0,0,0|0,0,1]=3 607 B7R0.3 CCCCC(=CC)C TS04336 [1,1,0,0,0,0|1,0,0]=3 608 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|0,0,1]=3 609 B7R0.3 CCCCC(=O)NC TS32169 [1,1,0,0,0,0|1,0,1]=4 610 B7R0.3 CCCCC(=O)OC TS32226 [1,1,0,0,0,0|1,0,1]=4 611 B7R0.3 CCCCC(C)CBr TS14345 [1,1,0,0,0,0|1,0,1]=4 612 B7R0.3 CCCCC(C)CC TS32121 [1,1,0,0,0,0|0,0,2]=4 613 B7R0.3 CCCCC(C)CO TS32251 [1,1,0,0,0,0|0,0,1]=3 614 B7R0.3 CCCCC(CBr)Br TS85274 [1,1,0,0,0,0|1,0,1]=4 615 B7R0.3 CCCCC(CC)Br TS14340 [1,1,0,0,0,0|0,0,2]=4 616 B7R0.3 CCCCC(CC)N TS04554 [1,1,0,0,0,0|0,0,2]=4 617 B7R0.3 CCCCC(CC)O TS04628 [1,1,0,0,0,0|0,0,2]=4 618 B7R0.3 CCCCC(CCl)Cl TS10545 [1,1,0,0,0,0|1,0,1]=4 619 B7R0.3 CCCCC(CO)N TS32290 [1,1,0,0,0,0|0,0,1]=3 620 B7R0.3 CCCCC(CO)O TS32342 [1,1,0,0,0,0|0,0,1]=3 621 B7R0.3 CCCC[C@@H](CO)N TS32293 [1,1,0,0,0,0|0,0,1]=3 622 B7R0.3 CCCC[C@H](CO)N TS32292 [1,1,0,0,0,0|0,0,1]=3 623 B7R0.3 CCCNC(C)CC TS04555 [1,1,0,0,0,0|1,0,1]=4 624 B7R0.3 CCCOC(=O)CCl TS06137 [1,1,0,0,0,0|2,0,0]=4 625 B7R0.3 CCCOC(=O)CN TS41315 [1,1,0,0,0,0|2,0,0]=4 626 B7R0.3 CCCOC(=O)OC TS32321 [1,1,0,0,0,0|2,0,0]=4 627 B7R0.3 CCCSC(=O)CC TS05773 [1,1,0,0,0,0|1,0,0]=3 628 B7R0.3 CCOCC(CO)O TS04807 [1,1,0,0,0,0|1,0,0]=3 629 B7R0.3 CCSCC(CO)O TS06111 [1,1,0,0,0,0|1,0,0]=3 630 B7R0.3 CC[C@H](C)CCCO TS04624 [1,1,0,0,0,0|0,0,1]=3 631 B7R0.3 COC(=O)CCCBr TS09599 [1,1,0,0,0,0|2,0,0]=4 632 B7R0.3 COC(=O)CCCCl TS06131 [1,1,0,0,0,0|2,0,0]=4 633 B7R0.3 COC(=O)CCCI TS52575 [1,1,0,0,0,0|2,0,0]=4 634 B7R0.3 COC(=O)CCCN TS41316 [1,1,0,0,0,0|2,0,0]=4 635 B7R0.3 CSCCC(CO)N TS06018 [1,1,0,0,0,0|1,0,1]=4 636 B7R0.3 CSCC[C@@H](CO)N TS07679 [1,1,0,0,0,0|1,0,1]=4 637 B7R0.3 CSCC[C@H](CO)N TS22806 [1,1,0,0,0,0|1,0,1]=4 638 B7R0.4 B(C=CCCC)(O)O TS04408 [1,1,0,0,0,0|2,0,0]=4 639 B7R0.4 B(CCCCC)(O)O TS01615 [1,1,0,0,0,0|1,0,1]=4 640 B7R0.4 CC(=CCCC=C)C TS31846 [1,1,0,0,0,0|1,0,1]=4 641 B7R0.4 CC(=O)CCCCBr TS47671 [1,1,0,0,0,0|1,0,1]=4 642 B7R0.4 CC(=O)CCCCCl TS05947 [1,1,0,0,0,0|1,0,1]=4 643 B7R0.4 CC(=O)OCCCCl TS06130 [1,1,0,0,0,0|2,0,0]=4 644 B7R0.4 CC(C)CCCCBr TS14341 [1,1,0,0,0,0|1,0,1]=4 645 B7R0.4 CC(C)CCCCCl TS36890 [1,1,0,0,0,0|1,0,1]=4 646 B7R0.4 CC(C)COCCO TS04743 [1,1,0,0,0,0|1,0,1]=4 647 B7R0.4 CC(C)CSCCO TS36873 [1,1,0,0,0,0|1,0,1]=4 648 B7R0.4 CC(C)NCCCN TS04629 [1,1,0,0,0,0|2,0,0]=4 649 B7R0.4 CC(C)OCCCN TS32297 [1,1,0,0,0,0|2,0,0]=4 650 B7R0.4 CC(CCCCO)O TS04744 [1,1,0,0,0,0|0,0,1]=3 651 B7R0.4 CC=CCCC(=C)C TS04225 [1,1,0,0,0,0|1,0,1]=4 652 B7R0.4 CC=CCCC(C)C TS31977 [1,1,0,0,0,0|1,0,0]=3 653 B7R0.4 CCC#CCC(C)C TS04215 [1,1,0,0,0,0|0,0,2]=4 654 B7R0.4 CCC#CCC(C)O TS31938 [1,1,0,0,0,0|0,0,2]=4 655 B7R0.4 CCC=CCC(=O)O TS04425 [1,1,0,0,0,0|0,0,1]=3 656 B7R0.4 CCC=CCC(C)C TS04361 [1,1,0,0,0,0|0,0,0]=2 657 B7R0.4 CCCC=CC(=O)C TS31936 [1,1,0,0,0,0|0,0,1]=3 658 B7R0.4 CCCC=CC(=O)O TS59547 [1,1,0,0,0,0|1,0,1]=4 659 B7R0.4 CCCC=CC(C)C TS04365 [1,1,0,0,0,0|0,0,0]=2 660 B7R0.4 CCCCC=C(C)C TS04347 [1,1,0,0,0,0|1,0,0]=3 661 B7R0.4 CCCCCC(=C)C TS04340 [1,1,0,0,0,0|1,0,1]=4 662 B7R0.4 CCCCCC(=O)C TS32098 [1,1,0,0,0,0|1,0,1]=4 663 B7R0.4 CCCCCC(=O)O TS32204 [1,1,0,0,0,0|0,0,2]=4 664 B7R0.4 CCCCCC(C)Br TS14342 [1,1,0,0,0,0|0,0,2]=4 665 B7R0.4 CCCCCC(C)C TS32120 [1,1,0,0,0,0|0,0,2]=4 666 B7R0.4 CCCCCC(C)Cl TS05959 [1,1,0,0,0,0|0,0,2]=4 667 B7R0.4 CCCCCC(C)N TS04560 [1,1,0,0,0,0|0,0,2]=4 668 B7R0.4 CCCCCC(C)O TS32255 [1,1,0,0,0,0|0,0,1]=3 669 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,1,0,0,0,0|0,0,2]=4 670 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,1,0,0,0,0|0,0,1]=3 671 B7R0.4 CCCCC[C@H](C)N TS04553 [1,1,0,0,0,0|0,0,2]=4 672 B7R0.4 CCCCC[C@H](C)O TS32248 [1,1,0,0,0,0|0,0,1]=3 673 B7R0.4 CCCCNC(=O)C TS32171 [1,1,0,0,0,0|2,0,0]=4 674 B7R0.4 CCCCOC(=O)C TS32218 [1,1,0,0,0,0|2,0,0]=4 675 B7R0.4 CCCCOC(=S)C TS05777 [1,1,0,0,0,0|2,0,0]=4 676 B7R0.4 CCCCSC(C)C TS05791 [1,1,0,0,0,0|1,0,1]=4 677 B7R0.4 CCCOCC(C)O TS04740 [1,1,0,0,0,0|1,0,1]=4 678 B7R0.4 CCCSCC(C)C TS05789 [1,1,0,0,0,0|1,0,1]=4 679 B7R0.4 CCOC=C[SiH](C)C TS05619 [1,1,0,0,0,0|1,1,0]=4 680 B7R0.4 CCOCCC(=O)O TS32325 [1,1,0,0,0,0|1,0,1]=4 681 B7R0.4 CCSCCC(C)C TS05793 [1,1,0,0,0,0|1,0,1]=4 682 B7R0.4 CN(C)CCCCO TS32288 [1,1,0,0,0,0|1,0,1]=4 683 B7R0.4 C[C@H](CCCCO)O TS04737 [1,1,0,0,0,0|0,0,1]=3 684 B7R0.7 C(CO)C(=O)CCO TS04717 [1,1,0,0,0,0|1,0,1]=4 685 B7R0.7 CC(CCO)CCO TS04739 [1,1,0,0,0,0|1,0,1]=4 686 B7R0.7 CC=CC(C)CC=C TS04219 [1,1,0,0,0,0|1,0,1]=4 687 B7R0.7 CC=CC(CC=C)O TS04315 [1,1,0,0,0,0|1,0,1]=4 688 B7R0.7 CCCC(=CCC)C TS31954 [1,1,0,0,0,0|0,0,0]=2 689 B7R0.7 CCCC(=O)CCC TS32100 [1,1,0,0,0,0|0,0,1]=3 690 B7R0.7 CCCC(=O)OCC TS32219 [1,1,0,0,0,0|1,0,0]=3 691 B7R0.7 CCCC(=O)OCCl TS55810 [1,1,0,0,0,0|2,0,0]=4 692 B7R0.7 CCCC(=S)OCC TS05779 [1,1,0,0,0,0|1,0,0]=3 693 B7R0.7 CCCC(=S)OCC TS07488 [1,1,0,0,0,0|1,0,0]=3 694 B7R0.7 CCCC(C)CCC TS04512 [1,1,0,0,0,0|0,0,2]=4 695 B7R0.7 CCCC(C)CCO TS32249 [1,1,0,0,0,0|0,0,1]=3 696 B7R0.7 CCCC(C)OCC TS32250 [1,1,0,0,0,0|1,0,1]=4 697 B7R0.7 CCCC(C=CC)O TS04465 [1,1,0,0,0,0|1,0,0]=3 698 B7R0.7 CCCC(CCC)Br TS14339 [1,1,0,0,0,0|0,0,2]=4 699 B7R0.7 CCCC(CCC)Cl TS36889 [1,1,0,0,0,0|0,0,2]=4 700 B7R0.7 CCCC(CCC)N TS02992 [1,1,0,0,0,0|0,0,2]=4 701 B7R0.7 CCCC(CCC)O TS04625 [1,1,0,0,0,0|0,0,2]=4 702 B7R0.7 CCCC(CCC)[Zn+] TS62077 [1,1,0,0,0,0|0,0,2]=4 703 B7R0.7 CCCC(CCO)S TS36876 [1,1,0,0,0,0|0,0,1]=3 704 B7R0.7 CCCN(C)CCC TS04549 [1,1,0,0,0,0|1,0,1]=4 705 B7R0.7 CCCS(=O)CCC TS36875 [1,1,0,0,0,0|1,0,1]=4 706 B7R0.7 CCC[C@@H](C)CCO TS32231 [1,1,0,0,0,0|0,0,1]=3 707 B7R0.7 CCNC(=O)NCC TS04609 [1,1,0,0,0,0|2,0,0]=4 708 B7R0.7 CCNC(=O)OCC TS04671 [1,1,0,0,0,0|2,0,0]=4 709 B7R0.7 CCNC(=S)NCC TS05780 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.7 CCOC(=C)OCC TS56207 [1,1,0,0,0,0|2,0,0]=4 711 B7R0.7 CCOC(=O)C=CC TS04436 [1,1,0,0,0,0|1,0,1]=4 712 B7R0.7 CCOC(=O)CCBr TS08511 [1,1,0,0,0,0|2,0,0]=4 713 B7R0.7 CCOC(=O)CCCl TS66003 [1,1,0,0,0,0|2,0,0]=4 714 B7R0.7 CCOC(=O)CCI TS56139 [1,1,0,0,0,0|2,0,0]=4 715 B7R0.7 CCOC(=O)CCN TS01886 [1,1,0,0,0,0|2,0,0]=4 716 B7R0.7 CCOC(=O)CCN TS04667 [1,1,0,0,0,0|2,0,0]=4 717 B7R0.7 CCOC(=O)CCS TS05923 [1,1,0,0,0,0|1,1,0]=4 718 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [1,1,0,0,0,0|2,0,0]=4 719 B7R0.7 CCOC(=O)CNC TS01479 [1,1,0,0,0,0|2,0,0]=4 720 B7R0.7 CCOC(=O)COC TS32327 [1,1,0,0,0,0|2,0,0]=4 721 B7R0.7 CCOC(=O)CSC TS05917 [1,1,0,0,0,0|2,0,0]=4 722 B7R0.7 CCOC(=O)OCC TS32315 [1,1,0,0,0,0|2,0,0]=4 723 B7R0.7 CCSC(=O)SCC TS40933 [1,1,0,0,0,0|2,0,0]=4 724 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,2,0,0,0,0|1,0,1]=4 725 B9R0.5 CCC=CCC(=O)OCC TS06708 [0,2,0,0,0,0|1,0,1]=4 726 B9R0.5 CCCC=CC(=O)OCC TS06717 [0,2,0,0,0,0|1,0,1]=4 727 B9R0.5 CCCCCC(=O)CCC TS06764 [0,2,0,0,0,0|1,0,1]=4 728 B9R0.5 CCCCCC(=O)OCC TS06974 [0,2,0,0,0,0|1,0,1]=4 729 B9R0.5 CCCCOC(=O)CCC TS40200 [0,2,0,0,0,0|1,0,1]=4 730 B9R0.5 CCCCOC(=O)CCCl TS11957 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.5 CCCCOC(=O)CCS TS11614 [0,2,0,0,0,0|2,0,0]=4 732 B9R0.5 CCOC(=O)CCCCBr TS20688 [0,2,0,0,0,0|1,0,1]=4 733 B9R0.5 CCOC(=O)CCCC[Zn+] TS33641 [0,2,0,0,0,0|1,0,1]=4 734 B9R0.5 CCOC(=O)CNCCN TS49565 [0,2,0,0,0,0|2,0,0]=4 735 B9R0.5 CCOCCC(=O)OCC TS00147 [0,2,0,0,0,0|2,0,0]=4 736 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,2,0,0,0,0|1,0,1]=4 737 B9R0.8 CCCCC(C(CO)O)O TS40633 [0,2,0,0,0,0|0,0,2]=4 738 B9R0.18 C(CC(=O)CCCCl)CCl TS48380 [0,2,0,0,0,0|1,0,1]=4 739 B9R0.18 C(CO)NC(=O)NCCO TS07426 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.18 CCCCC(=O)CCCC TS39918 [0,2,0,0,0,0|1,0,1]=4 741 B9R0.18 CCCCC(=O)OCCC TS06971 [0,2,0,0,0,0|1,0,1]=4 742 B9R0.34 CCOC(=O)C[C@@H](CBr)O TS21056 [0,2,0,0,0,0|2,0,0]=4 743 B9R0.34 CCOC(=O)C[C@@H](CCl)O TS08648 [0,2,0,0,0,0|2,0,0]=4 744 B9R0.34 CCOC(=O)C[C@H](CBr)O TS21055 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.34 CCOC(=O)C[C@H](CCl)O TS39748 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,2,0,0,0,0|1,0,1]=4 747 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,2,0,0,0,0|1,0,1]=4 750 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,2,0,0,0,0|2,0,0]=4 753 B9R0.48 CCOC(=O)CCC(C)C TS06969 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.2 CCC=CCCOC(=O)C TS37598 [0,2,0,0,0,0|0,0,2]=4 756 B9R0.2 CCCCC=CCC(=O)O TS37609 [0,2,0,0,0,0|1,0,1]=4 757 B9R0.2 CCCCCCCC(=O)O TS40219 [0,2,0,0,0,0|0,0,2]=4 758 B9R0.2 CN(C)CCCCCCO TS40334 [0,2,0,0,0,0|0,0,2]=4 759 B9R0.45 C#CCCCCCCCO TS06488 [0,2,0,0,0,0|0,0,2]=4 760 B9R0.45 C(CCCCBr)CCCO TS59627 [0,2,0,0,0,0|0,0,2]=4 761 B9R0.45 C(CCCCCl)CCCO TS55696 [0,2,0,0,0,0|0,0,2]=4 762 B9R0.45 C(CCCCO)CCCN TS40336 [0,2,0,0,0,0|0,0,2]=4 763 B9R0.45 C(CCCCO)CCCO TS34596 [0,2,0,0,0,0|0,0,2]=4 764 B9R0.45 C(CNCCO)NCCO TS07481 [0,2,0,0,0,0|1,0,1]=4 765 B9R0.45 C(CO)CSSCCCO TS48335 [0,2,0,0,0,0|1,0,1]=4 766 B9R0.45 C(COCCOCCCl)O TS44946 [0,2,0,0,0,0|1,0,1]=4 767 B9R0.45 C(COCCOCCO)N TS40739 [0,2,0,0,0,0|1,0,1]=4 768 B9R0.45 C(COCCOCCO)O TS09857 [0,2,0,0,0,0|1,0,1]=4 769 B9R0.45 C(COCCOCCS)O TS12275 [0,2,0,0,0,0|1,0,1]=4 770 B9R0.45 C(CSCCSCCO)O TS48337 [0,2,0,0,0,0|1,0,1]=4 771 B9R0.45 C=CCCCCCCCO TS37642 [0,2,0,0,0,0|0,0,2]=4 772 B9R0.45 CC=CC=CCCCCO TS06516 [0,2,0,0,0,0|0,0,1]=3 773 B9R0.45 CCC=CCC=CCCO TS06496 [0,2,0,0,0,0|0,0,0]=2 774 B9R0.45 CCC=CCC=CCCO TS06509 [0,2,0,0,0,0|0,0,0]=2 775 B9R0.45 CCC=CCCC=CC=O TS37213 [0,2,0,0,0,0|0,0,2]=4 776 B9R0.45 CCC=CCCC=CCC TS06314 [0,2,0,0,0,0|1,0,0]=3 777 B9R0.45 CCC=CCCC=CCO TS06504 [0,2,0,0,0,0|0,0,0]=2 778 B9R0.45 CCC=CCCCCC=O TS06506 [0,2,0,0,0,0|0,0,1]=3 779 B9R0.45 CCC=CCCCCCO TS06747 [0,2,0,0,0,0|0,0,0]=2 780 B9R0.45 CCC=CCCOCC=O TS37602 [0,2,0,0,0,0|0,0,1]=3 781 B9R0.45 CCCCC=CC=CCO TS06495 [0,2,0,0,0,0|0,0,2]=4 782 B9R0.45 CCCCC=CCCCC TS06526 [0,2,0,0,0,0|1,0,0]=3 783 B9R0.45 CCCCC=CCCCC TS06534 [0,2,0,0,0,0|1,0,0]=3 784 B9R0.45 CCCCCC#CCCO TS06497 [0,2,0,0,0,0|0,0,2]=4 785 B9R0.45 CCCCCC=CCCC TS06525 [0,2,0,0,0,0|1,0,0]=3 786 B9R0.45 CCCCCC=CCCC TS06539 [0,2,0,0,0,0|1,0,0]=3 787 B9R0.45 CCCCCC=CCCO TS06745 [0,2,0,0,0,0|1,0,0]=3 788 B9R0.45 CCCCCC=COCC TS06766 [0,2,0,0,0,0|1,0,0]=3 789 B9R0.45 CCCCCCC#CCO TS06501 [0,2,0,0,0,0|0,0,2]=4 790 B9R0.45 CCCCCCC=CCC TS06528 [0,2,0,0,0,0|1,0,0]=3 791 B9R0.45 CCCCCCC=CCC TS06538 [0,2,0,0,0,0|1,0,0]=3 792 B9R0.45 CCCCCCC=CCO TS37637 [0,2,0,0,0,0|0,0,2]=4 793 B9R0.45 CCCCCCCCCO TS07020 [0,2,0,0,0,0|0,0,2]=4 794 B9R0.45 CCCCCCNCCO TS40337 [0,2,0,0,0,0|0,0,2]=4 795 B9R0.45 CCCCCCOCCO TS07250 [0,2,0,0,0,0|0,0,2]=4 796 B9R0.45 CCCCCCSCCO TS42515 [0,2,0,0,0,0|0,0,2]=4 797 B9R0.45 CCCCNCCCCO TS40341 [0,2,0,0,0,0|0,0,2]=4 798 B9R0.45 CCNCC=CCNCC TS37659 [0,2,0,0,0,0|2,0,0]=4 799 B9R0.45 CCOCCCCOCC TS07247 [0,2,0,0,0,0|1,0,1]=4 800 B9R0.45 CCOCCOCCOC TS40642 [0,2,0,0,0,0|1,0,1]=4 801 B9R0.46 C(CCC(CO)O)CCO TS40640 [0,2,0,0,0,0|0,0,2]=4 802 B9R0.46 CCCCCCC(=O)CC TS06757 [0,2,0,0,0,0|1,0,1]=4 803 B9R0.46 CCCCCCC(C=C)O TS06738 [0,2,0,0,0,0|0,0,2]=4 804 B9R0.46 CCCCCCC(CC)O TS40234 [0,2,0,0,0,0|0,0,2]=4 805 B9R0.46 CCCCCCC(CO)O TS07249 [0,2,0,0,0,0|0,0,2]=4 806 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [0,2,0,0,0,0|0,0,2]=4 807 B9R0.46 CCCCCC[C@H](CF)O TS07486 [0,2,0,0,0,0|0,0,2]=4 808 B9R0.46 CCCCCC[C@H](CO)O TS07254 [0,2,0,0,0,0|0,0,2]=4 809 B9R0.46 CCCCCOC(=O)CC TS06970 [0,2,0,0,0,0|1,0,1]=4 810 B9R0.46 CC[C@H](C)CCCCCO TS40233 [0,2,0,0,0,0|0,0,2]=4 811 B9R0.46 COC(=O)C#CCCCO TS06657 [0,2,0,0,0,0|1,0,1]=4 812 B9R0.46 COC(=O)CCCCCO TS40427 [0,2,0,0,0,0|1,0,1]=4 813 B9R0.1 CCC(=O)OCCC(C)C TS06990 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.24 C(C(COC(=O)CS)O)O TS43089 [0,2,0,0,0,0|2,0,0]=4 815 B9R0.24 CCC(C)COC(=O)CC TS40204 [0,2,0,0,0,0|2,0,0]=4 816 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,2,0,0,0,0|1,0,1]=4 817 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,2,0,0,0,0|2,0,0]=4 818 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,2,0,0,0,0|2,0,0]=4 819 B9R0.50 CCCCC=C(CC)CC TS06523 [0,2,0,0,0,0|1,0,0]=3 820 B9R0.50 CCCCCC(CO)CO TS07257 [0,2,0,0,0,0|0,0,2]=4 821 B9R0.50 CCN(CCCCO)N=O TS07237 [0,2,0,0,0,0|1,0,1]=4 822 B9R0.38 CC(C)(C)CCCCCO TS40238 [0,2,0,0,0,0|0,0,2]=4 823 B9R0.38 CCCCC=CC(F)(F)Br TS21440 [0,2,0,0,0,0|2,0,0]=4 824 B9R0.38 CCCCCCC(C)(C)O TS40249 [0,2,0,0,0,0|0,0,2]=4 825 B7R1.1 C1C(OCO1)CO TS31671 [1,0,0,1,0,0|2,0,0]=4 826 B7R1.1 C1C=CCC1CI TS43382 [1,0,0,1,0,0|1,0,0]=3 827 B7R1.1 C1C=CCC1CO TS03780 [1,0,0,1,0,0|0,0,0]=2 828 B7R1.1 C1CC(OC1)C=O TS16819 [1,0,0,1,0,0|1,0,1]=4 829 B7R1.1 C1CC(OC1)CBr TS42845 [1,0,0,1,0,0|1,0,1]=4 830 B7R1.1 C1CC(OC1)CCl TS32449 [1,0,0,1,0,0|1,0,1]=4 831 B7R1.1 C1CC(OC1)CN TS39685 [1,0,0,1,0,0|1,0,1]=4 832 B7R1.1 C1CC(OC1)CO TS59435 [1,0,0,1,0,0|1,0,1]=4 833 B7R1.1 C1CC=C(C1)C#N TS71878 [1,0,0,1,0,0|1,0,1]=4 834 B7R1.1 C1CC=C(C1)CBr TS90531 [1,0,0,1,0,0|1,0,0]=3 835 B7R1.1 C1CCC(C1)CBr TS16535 [1,0,0,1,0,0|1,0,1]=4 836 B7R1.1 C1CCC(C1)CO TS31527 [1,0,0,1,0,0|0,0,1]=3 837 B7R1.1 C1CCC(C1)CO TS44787 [1,0,0,1,0,0|0,0,1]=3 838 B7R1.1 C1CNCC1CO TS01674 [1,0,0,1,0,0|1,0,0]=3 839 B7R1.1 C1CNCC1CO TS90843 [1,0,0,1,0,0|1,0,0]=3 840 B7R1.1 C1CNC[C@@H]1CO TS86165 [1,0,0,1,0,0|1,0,0]=3 841 B7R1.1 C1CNC[C@@H]1CO TS87755 [1,0,0,1,0,0|1,0,0]=3 842 B7R1.1 C1CNC[C@H]1CO TS90835 [1,0,0,1,0,0|1,0,0]=3 843 B7R1.1 C1CNC[C@H]1CO TS91204 [1,0,0,1,0,0|1,0,0]=3 844 B7R1.1 C1COCC1CBr TS42850 [1,0,0,1,0,0|2,0,0]=4 845 B7R1.1 C1COCC1CCl TS32453 [1,0,0,1,0,0|2,0,0]=4 846 B7R1.1 C1COCC1CI TS21229 [1,0,0,1,0,0|2,0,0]=4 847 B7R1.1 C1COCC1CN TS37140 [1,0,0,1,0,0|2,0,0]=4 848 B7R1.1 C1COCC1CO TS90635 [1,0,0,1,0,0|1,0,0]=3 849 B7R1.1 C1COC[C@@H]1CN TS86866 [1,0,0,1,0,0|2,0,0]=4 850 B7R1.1 C1COC[C@@H]1CO TS90533 [1,0,0,1,0,0|1,0,0]=3 851 B7R1.1 C1COC[C@H]1CN TS87555 [1,0,0,1,0,0|2,0,0]=4 852 B7R1.1 C1COC[C@H]1CO TS91740 [1,0,0,1,0,0|1,0,0]=3 853 B7R1.1 C1C[C@@H](NC1)CO TS55885 [1,0,0,1,0,0|1,0,1]=4 854 B7R1.1 C1C[C@@H](OC1)CN TS08645 [1,0,0,1,0,0|1,0,1]=4 855 B7R1.1 C1C[C@H](NC1)CO TS46675 [1,0,0,1,0,0|1,0,1]=4 856 B7R1.1 C1C[C@H](NC1)CO TS90617 [1,0,0,1,0,0|1,0,1]=4 857 B7R1.1 C1C[C@H](OC1)CN TS07684 [1,0,0,1,0,0|1,0,1]=4 858 B7R1.1 C1C[C@H](OC1)CO TS03948 [1,0,0,1,0,0|1,0,1]=4 859 B7R1.1 CC=C1CCCC1 TS03729 [1,0,0,1,0,0|1,0,0]=3 860 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|0,0,0]=2 861 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,1,0,0|1,0,0]=3 862 B7R1.1 CCC1CCC=C1 TS03720 [1,0,0,1,0,0|0,0,0]=2 863 B7R1.1 CCC1CCCC1 TS21020 [1,0,0,1,0,0|0,0,2]=4 864 B7R1.1 CCC1CCCC1 TS21612 [1,0,0,1,0,0|0,0,2]=4 865 B7R1.1 CCC1CCCC1 TS35071 [1,0,0,1,0,0|0,0,2]=4 866 B7R1.1 CCC1CCCC1 TS57108 [1,0,0,1,0,0|0,0,2]=4 867 B7R1.1 CCC1CCCC1 TS57519 [1,0,0,1,0,0|0,0,2]=4 868 B7R1.1 CCC1CCCC1 TS62096 [1,0,0,1,0,0|0,0,2]=4 869 B7R1.1 CCC1CCCC1 TS70230 [1,0,0,1,0,0|0,0,2]=4 870 B7R1.1 CCC1CCCC1 TS70344 [1,0,0,1,0,0|0,0,2]=4 871 B7R1.1 CCC1CCCC1 TS75798 [1,0,0,1,0,0|0,0,2]=4 872 B7R1.1 CCC1CCCC1 TS78923 [1,0,0,1,0,0|0,0,2]=4 873 B7R1.1 CCC1CCCC1 TS80049 [1,0,0,1,0,0|0,0,2]=4 874 B7R1.1 CCC1OCCO1 TS03937 [1,0,0,1,0,0|1,0,1]=4 875 B7R1.1 CCN1CCCC1 TS03828 [1,0,0,1,0,0|1,0,1]=4 876 B7R1.1 CCc1ccco1 TS31365 [1,0,0,1,0,0|0,0,2]=4 877 B7R1.1 COC1=NCCC1 TS03819 [1,0,0,1,0,0|2,0,0]=4 878 B7R1.3 C1CC(CC=C1)Br TS11358 [1,0,0,1,0,0|1,0,0]=3 879 B7R1.3 C1CC(CC=C1)Cl TS04655 [1,0,0,1,0,0|1,0,0]=3 880 B7R1.3 C1CC(CC=C1)O TS31422 [1,0,0,1,0,0|0,0,0]=2 881 B7R1.3 C1CC(CNC1)O TS02796 [1,0,0,1,0,0|1,0,1]=4 882 B7R1.3 C1CC(CNC1)O TS16254 [1,0,0,1,0,0|1,0,1]=4 883 B7R1.3 C1CC(CNC1)O TS28091 [1,0,0,1,0,0|1,0,1]=4 884 B7R1.3 C1CC(COC1)O TS59831 [1,0,0,1,0,0|1,0,1]=4 885 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|1,0,1]=4 886 B7R1.3 C1CC=CC(C1)Br TS11359 [1,0,0,1,0,0|1,0,0]=3 887 B7R1.3 C1CC=CC(C1)Cl TS04653 [1,0,0,1,0,0|1,0,0]=3 888 B7R1.3 C1CC=CC(C1)O TS59964 [1,0,0,1,0,0|1,0,0]=3 889 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|2,0,0]=4 890 B7R1.3 C1CCC(CC1)Br TS33231 [1,0,0,1,0,0|1,0,1]=4 891 B7R1.3 C1CCC(CC1)Cl TS39830 [1,0,0,1,0,0|1,0,1]=4 892 B7R1.3 C1CCC(CC1)F TS31606 [1,0,0,1,0,0|1,0,1]=4 893 B7R1.3 C1CCC(CC1)I TS43723 [1,0,0,1,0,0|1,0,1]=4 894 B7R1.3 C1CCC(CC1)N TS03833 [1,0,0,1,0,0|1,0,1]=4 895 B7R1.3 C1CCC(CC1)N TS06026 [1,0,0,1,0,0|1,0,1]=4 896 B7R1.3 C1CCC(CC1)N TS14508 [1,0,0,1,0,0|1,0,1]=4 897 B7R1.3 C1CCC(CC1)N TS18426 [1,0,0,1,0,0|1,0,1]=4 898 B7R1.3 C1CCC(CC1)O TS31506 [1,0,0,1,0,0|0,0,1]=3 899 B7R1.3 C1CCC(CC1)P TS04576 [1,0,0,1,0,0|1,0,1]=4 900 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [1,0,0,1,0,0|1,0,1]=4 901 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [1,0,0,1,0,0|1,0,1]=4 902 B7R1.3 C1CCN(CC1)O TS31559 [1,0,0,1,0,0|1,0,1]=4 903 B7R1.3 C1CCNC(C1)O TS03900 [1,0,0,1,0,0|1,0,1]=4 904 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|1,0,1]=4 905 B7R1.3 C1CCOC(C1)O TS31590 [1,0,0,1,0,0|1,0,1]=4 906 B7R1.3 C1CNCCC1Br TS71009 [1,0,0,1,0,0|2,0,0]=4 907 B7R1.3 C1CNCCC1Cl TS09688 [1,0,0,1,0,0|2,0,0]=4 908 B7R1.3 C1CNCCC1F TS03995 [1,0,0,1,0,0|2,0,0]=4 909 B7R1.3 C1CNCCC1F TS09127 [1,0,0,1,0,0|2,0,0]=4 910 B7R1.3 C1CNCCC1N TS08873 [1,0,0,1,0,0|2,0,0]=4 911 B7R1.3 C1CNCCC1N TS70915 [1,0,0,1,0,0|2,0,0]=4 912 B7R1.3 C1CNCCC1O TS37141 [1,0,0,1,0,0|1,0,0]=3 913 B7R1.3 C1CNCCC1O TS71282 [1,0,0,1,0,0|1,0,0]=3 914 B7R1.3 C1CNCCC1S TS89665 [1,0,0,1,0,0|1,1,0]=4 915 B7R1.3 C1COC(=O)C=C1 TS03767 [1,0,0,1,0,0|1,0,1]=4 916 B7R1.3 C1COC(=O)OC1 TS31584 [1,0,0,1,0,0|2,0,0]=4 917 B7R1.3 C1COCCC1Br TS09616 [1,0,0,1,0,0|2,0,0]=4 918 B7R1.3 C1COCCC1Cl TS32447 [1,0,0,1,0,0|2,0,0]=4 919 B7R1.3 C1COCCC1I TS09723 [1,0,0,1,0,0|2,0,0]=4 920 B7R1.3 C1COCCC1N TS11397 [1,0,0,1,0,0|2,0,0]=4 921 B7R1.3 C1COCCC1N TS70925 [1,0,0,1,0,0|2,0,0]=4 922 B7R1.3 C1COCCC1N TS70926 [1,0,0,1,0,0|2,0,0]=4 923 B7R1.3 C1COCCC1O TS59433 [1,0,0,1,0,0|1,0,0]=3 924 B7R1.3 C1COCCC1O TS85905 [1,0,0,1,0,0|1,0,0]=3 925 B7R1.3 C1CSCCC1N TS59442 [1,0,0,1,0,0|2,0,0]=4 926 B7R1.3 C1CSCCC1O TS59441 [1,0,0,1,0,0|1,0,0]=3 927 B7R1.3 C1C[C@@H](CNC1)O TS46664 [1,0,0,1,0,0|1,0,1]=4 928 B7R1.3 C1C[C@H](CNC1)O TS88232 [1,0,0,1,0,0|1,0,1]=4 929 B7R1.3 C1C[C@H](CNC1)O TS89282 [1,0,0,1,0,0|1,0,1]=4 930 B7R1.3 CC1CC=CC=C1 TS03676 [1,0,0,1,0,0|0,0,2]=4 931 B7R1.3 CC1CCCCC1 TS02317 [1,0,0,1,0,0|0,0,2]=4 932 B7R1.3 CC1CCCCO1 TS31512 [1,0,0,1,0,0|0,0,1]=3 933 B7R1.3 CC1CCCNC1 TS70672 [1,0,0,1,0,0|1,0,1]=4 934 B7R1.3 CC1CCNCC1 TS03831 [1,0,0,1,0,0|1,0,1]=4 935 B7R1.3 CC1CCOCO1 TS03947 [1,0,0,1,0,0|1,0,1]=4 936 B7R1.3 CC1CNCCO1 TS02170 [1,0,0,1,0,0|1,0,1]=4 937 B7R1.3 CC1SCCCS1 TS16705 [1,0,0,1,0,0|1,1,0]=4 938 B7R1.3 C[C@@H]1CCCCN1 TS03835 [1,0,0,1,0,0|1,0,1]=4 939 B7R1.3 C[C@@H]1CNCCO1 TS03899 [1,0,0,1,0,0|1,0,1]=4 940 B7R1.3 C[C@@H]1CNCCO1 TS08072 [1,0,0,1,0,0|1,0,1]=4 941 B7R1.3 C[C@H]1CNCCO1 TS89643 [1,0,0,1,0,0|1,0,1]=4 942 B7R1.4 C1CC(C(C1)O)N TS03905 [1,0,0,1,0,0|1,0,1]=4 943 B7R1.4 C1CNC(=O)C1O TS02803 [1,0,0,1,0,0|2,0,0]=4 944 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,0,0,1,0,0|2,0,0]=4 945 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,1,0,0|2,0,0]=4 946 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [1,0,0,1,0,0|1,0,1]=4 947 B7R1.4 C1C[C@@H]([C@H](C1)O)O TS03951 [1,0,0,1,0,0|1,0,1]=4 948 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [1,0,0,1,0,0|1,0,1]=4 949 B7R1.4 C1C[C@H]([C@@H](C1)O)O TS03935 [1,0,0,1,0,0|1,0,1]=4 950 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [1,0,0,1,0,0|1,0,1]=4 951 B7R1.4 C1C[C@H]([C@H](C1)O)O TS03956 [1,0,0,1,0,0|1,0,1]=4 952 B7R1.4 CC1=CCCC1=O TS31367 [1,0,0,1,0,0|0,0,2]=4 953 B7R1.4 CC1C(CCO1)S TS32361 [1,0,0,1,0,0|1,1,0]=4 954 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|1,0,0]=3 955 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,0,0,1,0,0|0,0,2]=4 956 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,0,0,1,0,0|0,0,2]=4 957 B7R1.6 C1C(CO1)CCO TS86834 [1,0,0,1,0,0|1,0,1]=4 958 B7R1.6 C1CC(C1)CCN TS88922 [1,0,0,1,0,0|1,0,1]=4 959 B7R1.7 CCCCC1CO1 TS31525 [1,0,0,1,0,0|0,0,1]=3 960 B7R1.7 CCCC[C@@H]1CO1 TS31508 [1,0,0,1,0,0|0,0,1]=3 961 B7R1.7 CCOCC1CO1 TS03943 [1,0,0,1,0,0|1,0,0]=3 962 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|1,0,1]=4 963 B7R1.24 C1C=CCOCO1 TS03849 [1,0,0,1,0,0|1,0,0]=3 964 B7R1.24 C1CC=CC=CC1 TS03682 [1,0,0,1,0,0|0,0,2]=4 965 B7R1.24 C1CCC=CCC1 TS31384 [1,0,0,1,0,0|0,0,0]=2 966 B7R1.24 C1CCCCCC1 TS03793 [1,0,0,1,0,0|0,0,2]=4 967 B7R1.24 C1CCCNCC1 TS39804 [1,0,0,1,0,0|1,0,1]=4 968 B7R1.24 C1CCCOCC1 TS31519 [1,0,0,1,0,0|0,0,1]=3 969 B7R1.24 C1CCCSCC1 TS04639 [1,0,0,1,0,0|0,1,1]=4 970 B7R1.24 C1CCOCOC1 TS03952 [1,0,0,1,0,0|1,0,1]=4 971 B7R1.24 C1CNCCNC1 TS08536 [1,0,0,1,0,0|2,0,0]=4 972 B7R1.24 C1CNCCOC1 TS02067 [1,0,0,1,0,0|1,0,0]=3 973 B9R1.2 C1CNC(=O)CC1CN TS90526 [0,1,0,1,0,0|2,0,0]=4 974 B9R1.2 C1CNC(=O)CC1CO TS87561 [0,1,0,1,0,0|1,0,0]=3 975 B9R1.2 CCN1CCCC(C1)O TS05480 [0,1,0,1,0,0|1,0,1]=4 976 B9R1.2 CN1CCCC(C1)CO TS36419 [0,1,0,1,0,0|1,0,1]=4 977 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,1,0,1,0,0|2,0,0]=4 978 B9R1.7 CN1CCC(C1)CCO TS90139 [0,1,0,1,0,0|1,0,1]=4 979 B9R1.8 C1CC(CNC1)CCO TS32945 [0,1,0,1,0,0|0,0,2]=4 980 B9R1.8 C1CCC(=CC1)CC#N TS32465 [0,1,0,1,0,0|1,0,1]=4 981 B9R1.8 C1CCC(=CC1)CCN TS05119 [0,1,0,1,0,0|1,0,0]=3 982 B9R1.8 C1CCC(CC1)CON TS05475 [0,1,0,1,0,0|0,0,2]=4 983 B9R1.8 C1CCN(CC1)CCO TS05482 [0,1,0,1,0,0|0,0,2]=4 984 B9R1.8 C1CCNC(C1)CCO TS02459 [0,1,0,1,0,0|0,0,2]=4 985 B9R1.8 C1CCOC(C1)CCN TS05479 [0,1,0,1,0,0|0,0,2]=4 986 B9R1.8 C1CN(CCN1)CCO TS56335 [0,1,0,1,0,0|1,0,1]=4 987 B9R1.8 C1CNCCC1CCO TS71281 [0,1,0,1,0,0|0,0,2]=4 988 B9R1.8 C1CN[C@H](CN1)CCO TS19527 [0,1,0,1,0,0|1,0,1]=4 989 B9R1.8 C1COC(OC1)CCBr TS17995 [0,1,0,1,0,0|1,0,1]=4 990 B9R1.8 C1COCCC1CCO TS60058 [0,1,0,1,0,0|0,0,2]=4 991 B9R1.8 C1COCCN1CCO TS36591 [0,1,0,1,0,0|1,0,1]=4 992 B9R1.8 C1CSCCN1CCO TS23011 [0,1,0,1,0,0|1,0,1]=4 993 B9R1.8 C=CCC1=CCCCC1 TS32535 [0,1,0,1,0,0|1,0,1]=4 994 B9R1.8 CCCC1CCCCO1 TS05388 [0,1,0,1,0,0|0,0,2]=4 995 B9R1.8 CCOC1=CCCCC1 TS05194 [0,1,0,1,0,0|1,0,0]=3 996 B9R1.8 CCOC1CCC=CO1 TS36292 [0,1,0,1,0,0|2,0,0]=4 997 B9R1.8 CNCC1CCCCO1 TS36422 [0,1,0,1,0,0|0,0,2]=4 998 B9R1.8 COCC1CCNCC1 TS05477 [0,1,0,1,0,0|1,0,1]=4 999 B9R1.8 COCC1CCNCC1 TS87684 [0,1,0,1,0,0|1,0,1]=4 1000 B9R1.12 C1CCN(C1)CCCO TS36426 [0,1,0,1,0,0|0,0,2]=4 1001 B9R1.12 CCC=CC1CCCC1 TS05058 [0,1,0,1,0,0|1,0,0]=3 1002 B9R1.12 CCCCC1=CCCC1 TS05061 [0,1,0,1,0,0|1,0,0]=3 1003 B9R1.12 CCOCC1CCCO1 TS36503 [0,1,0,1,0,0|0,0,2]=4 1004 B9R1.12 c1ccn(c1)CCCO TS08736 [0,1,0,1,0,0|0,0,2]=4 1005 B9R1.12 c1cn(cn1)CCCO TS05170 [0,1,0,1,0,0|1,0,1]=4 1006 B9R1.15 C1C=CC[C@@H]([C@@H]1CO)N TS11772 [0,1,0,1,0,0|0,0,0]=2 1007 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O TS59456 [0,1,0,1,0,0|0,0,2]=4 1008 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N TS12117 [0,1,0,1,0,0|0,0,2]=4 1009 B9R1.15 C1CC[C@H]([C@H](C1)CN)O TS12116 [0,1,0,1,0,0|0,0,2]=4 1010 B9R1.15 C1CC[C@H]([C@H](C1)CO)N TS12118 [0,1,0,1,0,0|0,0,2]=4 1011 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O TS92509 [0,1,0,1,0,0|1,0,1]=4 1012 B9R1.15 C1CNC[C@@H]([C@H]1CO)O TS92800 [0,1,0,1,0,0|1,0,1]=4 1013 B9R1.15 CC1CC=CCC1CO TS05187 [0,1,0,1,0,0|0,0,0]=2 1014 B9R1.15 CC=C1CCCCC1=O TS36005 [0,1,0,1,0,0|1,0,1]=4 1015 B9R1.15 CN1CCCCC1CO TS46982 [0,1,0,1,0,0|0,0,2]=4 1016 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94624 [0,1,0,1,0,0|0,0,2]=4 1017 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94625 [0,1,0,1,0,0|0,0,2]=4 1018 B9R1.15 CO[C@H]1CCCC[C@@H]1O TS05565 [0,1,0,1,0,0|0,0,2]=4 1019 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [0,1,0,1,0,0|1,0,1]=4 1020 B9R1.33 C1CN(C(=O)N1)CCO TS36478 [0,1,0,1,0,0|2,0,0]=4 1021 B9R1.33 C1CN(C(=S)N1)CCO TS07242 [0,1,0,1,0,0|2,0,0]=4 1022 B9R1.33 C1COC(=O)N1CCO TS05635 [0,1,0,1,0,0|2,0,0]=4 1023 B9R1.33 CN1CCCC1CCO TS16652 [0,1,0,1,0,0|0,0,2]=4 1024 B9R1.33 Cc1nccn1CCO TS05169 [0,1,0,1,0,0|1,0,1]=4 1025 B9R1.49 CN1CCCC(CC1)O TS36433 [0,1,0,1,0,0|1,0,1]=4 1026 B9R1.50 C1CCCNC(=O)CC1 TS05275 [0,1,0,1,0,0|2,0,0]=4 1027 B9R1.50 CC1=CCCCCCC1 TS05043 [0,1,0,1,0,0|1,0,0]=3 1028 B9R1.50 CC1CC=CCCC=C1 TS32528 [0,1,0,1,0,0|1,0,1]=4 1029 B9R1.50 CC1CCCCCC=C1 TS05055 [0,1,0,1,0,0|1,0,0]=3 1030 B9R1.69 CC1CC(C(C=C1)C)C TS05039 [0,1,0,1,0,0|1,0,0]=3 1031 B9R1.69 CC1CCC(=O)CC1C TS36162 [0,1,0,1,0,0|1,0,1]=4 1032 B9R1.69 CC1CCC(C(C1)C)O TS05396 [0,1,0,1,0,0|0,0,2]=4 1033 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [0,1,0,1,0,0|1,0,1]=4 1034 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [0,1,0,1,0,0|1,0,1]=4 1035 B9R1.73 CCOC(=O)C1CCC1 TS59781 [0,1,0,1,0,0|2,0,0]=4 1036 B9R1.75 CCOC(=O)C[C@@H]1CO1 TS05527 [0,1,0,1,0,0|1,0,0]=3 1037 B9R1.183 CCOC(=O)C1CC1C TS32692 [0,1,0,1,0,0|2,0,0]=4 1038 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1F TS36653 [0,1,0,1,0,0|2,0,0]=4 1039 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [0,1,0,1,0,0|0,0,2]=4 1040 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [0,1,0,1,0,0|0,0,2]=4 1041 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO TS36588 [0,1,0,1,0,0|1,0,1]=4 1042 B9R1.83 CCCCCCC1CO1 TS05397 [0,1,0,1,0,0|0,0,2]=4 1043 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [0,1,0,1,0,0|0,0,2]=4 1044 B9R1.83 CCCCOCC1CO1 TS36506 [0,1,0,1,0,0|0,0,2]=4 1045 B9R1.89 C1CCCC(CC1)CO TS05384 [0,1,0,1,0,0|0,0,2]=4 1046 B9R1.89 COC1CCCNCC1 TS87163 [0,1,0,1,0,0|1,0,1]=4 1047 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO TS89377 [0,1,0,1,0,0|0,0,2]=4 1048 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO TS86753 [0,1,0,1,0,0|0,0,2]=4 1049 B9R1.1 C=C1CCC(CC1)CO TS05200 [0,1,0,1,0,0|0,0,1]=3 1050 B9R1.1 CC1CCC(CC1)CO TS05372 [0,1,0,1,0,0|0,0,2]=4 1051 B9R1.1 CCC1CCC(=O)CC1 TS71106 [0,1,0,1,0,0|1,0,1]=4 1052 B9R1.1 CN1CCC(CC1)CO TS00484 [0,1,0,1,0,0|1,0,1]=4 1053 B9R1.1 C[C@@H]1CC[C@H](CN1)CO TS89788 [0,1,0,1,0,0|1,0,1]=4 1054 B9R1.3 CC1=CC=C[C@H]([C@H]1O)O TS05151 [0,1,0,1,0,0|0,0,2]=4 1055 B9R1.11 COC(=O)C1=CCCC1 TS85230 [0,1,0,1,0,0|2,0,0]=4 1056 B9R1.11 COC(=O)C1CCCO1 TS02300 [0,1,0,1,0,0|1,0,1]=4 1057 B9R1.118 C1CC(CNC1)(CO)O TS92891 [0,1,0,1,0,0|1,0,1]=4 1058 B9R1.118 C1CCC(CC1)(CO)N TS12112 [0,1,0,1,0,0|0,0,2]=4 1059 B9R1.118 C1CCC(CC1)(CO)O TS05566 [0,1,0,1,0,0|0,0,2]=4 1060 B9R1.118 C1CNCCC1(CO)F TS90147 [0,1,0,1,0,0|1,0,1]=4 1061 B9R1.118 C1CNCCC1(CO)O TS90105 [0,1,0,1,0,0|1,0,1]=4 1062 B9R1.118 C1COCCC1(CO)F TS88298 [0,1,0,1,0,0|1,0,1]=4 1063 B9R1.118 C1COCCC1(CO)N TS89915 [0,1,0,1,0,0|1,0,1]=4 1064 B9R1.118 CC1(CCCNC1)CO TS87954 [0,1,0,1,0,0|1,0,1]=4 1065 B9R1.118 CC1(CCCNC1)CO TS90382 [0,1,0,1,0,0|1,0,1]=4 1066 B9R1.118 CC1(CCNCC1)CO TS90423 [0,1,0,1,0,0|1,0,1]=4 1067 B9R1.118 CC1(CCOCC1)CO TS90932 [0,1,0,1,0,0|1,0,1]=4 1068 B9R1.6 C1C=CCN[C@@H]1C(=O)O TS36225 [0,1,0,1,0,0|1,0,1]=4 1069 B9R1.6 C1CC(CC=C1)C(=O)Cl TS07045 [0,1,0,1,0,0|0,0,2]=4 1070 B9R1.6 C1CC(CC=C1)C(=O)O TS02731 [0,1,0,1,0,0|0,0,1]=3 1071 B9R1.6 C1CC(OC=C1)C(=O)O TS36279 [0,1,0,1,0,0|1,0,1]=4 1072 B9R1.6 C1C[C@@H](CC=C1)C(=O)O TS36128 [0,1,0,1,0,0|0,0,1]=3 1073 B9R1.6 C1C[C@H](CC=C1)C(=O)O TS90359 [0,1,0,1,0,0|0,0,1]=3 1074 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [0,1,0,1,0,0|1,0,1]=4 1075 B9R1.6 CC(C)C1=CCCCC1 TS05054 [0,1,0,1,0,0|1,0,0]=3 1076 B9R1.6 CC(C1CCCCC1)O TS36346 [0,1,0,1,0,0|0,0,2]=4 1077 B9R1.13 C1CC(C=C1)CC(=O)N TS36067 [0,1,0,1,0,0|0,0,2]=4 1078 B9R1.13 CC(=O)CC1CCC=C1 TS36006 [0,1,0,1,0,0|0,0,2]=4 1079 B9R1.40 CC1(CNCCC1O)C TS87076 [0,1,0,1,0,0|1,0,1]=4 1080 B9R1.148 CC1(CCCCCC1)O TS05376 [0,1,0,1,0,0|0,0,2]=4 1081 B9R1.148 CC1(CCCNCC1)O TS91736 [0,1,0,1,0,0|1,0,1]=4 1082 B9R2.53 C1C2CNCC1C2O TS89822 [0,0,0,2,0,0|1,0,1]=4 1083 B9R2.53 C1C2CNCC1C2O TS92105 [0,0,0,2,0,0|1,0,1]=4 1084 B9R2.56 C1C2C1(CNC2)CO TS92082 [0,0,0,2,0,0|1,0,1]=4 1085 B9R2.65 C1[C@@H]2[C@@H]([C@H]2CO)CN1 TS32018 [0,0,0,2,0,0|1,0,1]=4 1086 B9R2.68 C1CC2CC1CC=C2 TS04150 [0,0,0,2,0,0|1,0,0]=3 1087 B9R2.174 C1CCC2(CC1)CO2 TS31948 [0,0,0,2,0,0|0,0,2]=4 1088 B9R2.39 C1C2CC(C1C=C2)O TS04201 [0,0,0,2,0,0|0,0,0]=2 1089 B9R2.39 C1CC2CC1CC2O TS31924 [0,0,0,2,0,0|0,0,2]=4 1090 B9R2.39 C1C[C@@H]2C[C@H]1C[C@@H]2O TS31950 [0,0,0,2,0,0|0,0,2]=4 1091 B9R2.39 C1C[C@@H]2C[C@H]1C[C@H]2O TS31931 [0,0,0,2,0,0|0,0,2]=4 1092 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O TS92147 [0,0,0,2,0,0|1,0,1]=4 1093 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O TS91802 [0,0,0,2,0,0|1,0,1]=4 1094 B9R2.39 C1C[C@H]2C[C@@H]1C[C@H]2O TS31927 [0,0,0,2,0,0|0,0,2]=4 1095 B9R2.39 C=C1CC2CC1C=C2 TS04095 [0,0,0,2,0,0|1,0,1]=4 1096 B9R2.3 C1COC2C1CNC2 TS89020 [0,0,0,2,0,0|1,0,1]=4 1097 B9R2.3 C1C[C@@H]2CC=C[C@@H]2C1 TS04149 [0,0,0,2,0,0|1,0,0]=3 1098 B9R2.173 C1CNCC12CCO2 TS87184 [0,0,0,2,0,0|1,0,1]=4 1099 B9R2.173 C1CNCC12CCO2 TS92634 [0,0,0,2,0,0|1,0,1]=4 1100 B9R2.52 C1CCC2C(O2)CC1 TS31946 [0,0,0,2,0,0|0,0,2]=4