0 B7R0.1 C#CCCCCCO TS01237 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.1 C(CCC#N)CCBr TS39357 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.1 C(CCC#N)CCCl TS05684 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C(CCC#N)CCN TS04328 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 C(CCCBr)CCBr TS07890 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 C(CCCBr)CCCl TS00416 [0,0,0,0,0,0|3,0,0]=3 6 B7R0.1 C(CCCBr)CCO TS59727 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 C(CCCCl)CCCl TS10546 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.1 C(CCCCl)CCO TS06143 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 C(CCCI)CCCl TS27509 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.1 C(CCCN)CCN TS04632 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.1 C(CCCN)CCN TS41228 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.1 C(CCCN)CCN TS41960 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 C(CCCN)CCN TS42181 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.1 C(CCCO)CCN TS39356 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 C(CCCO)CCO TS46825 [0,0,0,0,0,0|2,0,0]=2 16 B7R0.1 C(CCCS)CCO TS36872 [0,0,0,0,0,0|2,0,0]=2 17 B7R0.1 C(CCCS)CCS TS40940 [0,0,0,0,0,0|2,1,0]=3 18 B7R0.1 C(CCC[Zn+])CCCl TS68903 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.1 C(CCO)CC=NO TS04658 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.1 C(CN)CNCCBr TS56331 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.1 C(CN)CNCCN TS32302 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.1 C(CN)CNCCO TS56334 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.1 C(CNCCN)C#N TS32023 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.1 C(CNCCN)CO TS32350 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.1 C(CNCCO)CO TS04790 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.1 C(CO)C#CCCO TS32070 [0,0,0,0,0,0|2,0,1]=3 27 B7R0.1 C(CSCCO)C#N TS05678 [0,0,0,0,0,0|1,1,1]=3 28 B7R0.1 C(CSSCCN)N TS34567 [0,0,0,0,0,0|3,1,0]=4 29 B7R0.1 C(CSSCCN)N TS63168 [0,0,0,0,0,0|3,1,0]=4 30 B7R0.1 C(CSSCCO)O TS41445 [0,0,0,0,0,0|2,1,0]=3 31 B7R0.1 C(C[Se][Se]CCN)N TS77027 [0,0,0,0,0,0|3,1,0]=4 32 B7R0.1 C=CCCCCCBr TS59625 [0,0,0,0,0,0|2,0,2]=4 33 B7R0.1 C=CCCCCCCl TS36738 [0,0,0,0,0,0|2,0,2]=4 34 B7R0.1 C=CCCCCCO TS04461 [0,0,0,0,0,0|1,0,2]=3 35 B7R0.1 C=CCOCCC#N TS31876 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.1 C=CCOCCCO TS04587 [0,0,0,0,0,0|2,0,1]=3 37 B7R0.1 C=COCCCCO TS32203 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.1 CCC#CCCCCl TS36574 [0,0,0,0,0,0|2,0,2]=4 39 B7R0.1 CCC=CC=CCO TS31934 [0,0,0,0,0,0|1,0,3]=4 40 B7R0.1 CCC=CCCCO TS04463 [0,0,0,0,0,0|1,0,2]=3 41 B7R0.1 CCCC#CCC=C TS04139 [0,0,0,0,0,0|2,0,2]=4 42 B7R0.1 CCCC#CCCC TS31857 [0,0,0,0,0,0|2,0,1]=3 43 B7R0.1 CCCC#CCCO TS31945 [0,0,0,0,0,0|1,0,1]=2 44 B7R0.1 CCCC=CCC=C TS31855 [0,0,0,0,0,0|2,0,2]=4 45 B7R0.1 CCCC=CCCC TS31958 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.1 CCCC=CCCO TS04459 [0,0,0,0,0,0|1,0,1]=2 47 B7R0.1 CCCC=COCC TS04469 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.1 CCCCC#CC=C TS31785 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.1 CCCCC#CCC TS31859 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.1 CCCCC#CCO TS31930 [0,0,0,0,0,0|1,0,1]=2 51 B7R0.1 CCCCC=CC=C TS31850 [0,0,0,0,0,0|2,0,2]=4 52 B7R0.1 CCCCC=CC=O TS04311 [0,0,0,0,0,0|1,0,3]=4 53 B7R0.1 CCCCC=CCC TS04348 [0,0,0,0,0,0|2,0,1]=3 54 B7R0.1 CCCCC=CCC TS31974 [0,0,0,0,0,0|2,0,1]=3 55 B7R0.1 CCCCC=CCO TS32112 [0,0,0,0,0,0|1,0,1]=2 56 B7R0.1 CCCCCC#CC TS31856 [0,0,0,0,0,0|2,0,2]=4 57 B7R0.1 CCCCCC=CC TS31964 [0,0,0,0,0,0|2,0,2]=4 58 B7R0.1 CCCCCCC#C TS31852 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.1 CCCCCCC#N TS31893 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.1 CCCCCCC=O TS32096 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.1 CCCCCCCBr TS00035 [0,0,0,0,0,0|2,0,0]=2 62 B7R0.1 CCCCCCCCl TS36887 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.1 CCCCCCCF TS32353 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.1 CCCCCCCI TS52275 [0,0,0,0,0,0|2,0,0]=2 65 B7R0.1 CCCCCCCN TS04552 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.1 CCCCCCCO TS32232 [0,0,0,0,0,0|1,0,0]=1 67 B7R0.1 CCCCCCCS TS05788 [0,0,0,0,0,0|1,1,0]=2 68 B7R0.1 CCCCCCNC TS04559 [0,0,0,0,0,0|3,0,0]=3 69 B7R0.1 CCCCCCOC TS32254 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.1 CCCCCCSC TS05792 [0,0,0,0,0,0|3,0,0]=3 71 B7R0.1 CCCCCN=C=O TS04390 [0,0,0,0,0,0|2,0,2]=4 72 B7R0.1 CCCCCN=C=S TS36444 [0,0,0,0,0,0|2,1,1]=4 73 B7R0.1 CCCCCNCC TS04550 [0,0,0,0,0,0|3,0,0]=3 74 B7R0.1 CCCCCOCC TS32236 [0,0,0,0,0,0|3,0,0]=3 75 B7R0.1 CCCCCON=O TS04662 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.1 CCCCCSCC TS36717 [0,0,0,0,0,0|3,0,0]=3 77 B7R0.1 CCCCNCC#C TS31888 [0,0,0,0,0,0|2,0,1]=3 78 B7R0.1 CCCCNCCC TS04557 [0,0,0,0,0,0|2,0,0]=2 79 B7R0.1 CCCCNCCN TS04633 [0,0,0,0,0,0|2,0,0]=2 80 B7R0.1 CCCCNCCO TS32289 [0,0,0,0,0,0|1,0,0]=1 81 B7R0.1 CCCCNCCS TS36787 [0,0,0,0,0,0|1,1,0]=2 82 B7R0.1 CCCCOCC=C TS32094 [0,0,0,0,0,0|1,0,1]=2 83 B7R0.1 CCCCOCCBr TS48031 [0,0,0,0,0,0|1,0,0]=1 84 B7R0.1 CCCCOCCCl TS06142 [0,0,0,0,0,0|1,0,0]=1 85 B7R0.1 CCCCOCCO TS04738 [0,0,0,0,0,0|0,0,0]=0 86 B7R0.1 CCCCSCC#N TS36442 [0,0,0,0,0,0|1,1,1]=3 87 B7R0.1 CCCCSCCC TS05790 [0,0,0,0,0,0|1,1,0]=2 88 B7R0.1 CCCCSCCO TS36874 [0,0,0,0,0,0|0,1,0]=1 89 B7R0.1 CCCCSSCC TS40937 [0,0,0,0,0,0|2,1,0]=3 90 B7R0.1 CCCNCCC#N TS04329 [0,0,0,0,0,0|3,0,1]=4 91 B7R0.1 CCCNCCCN TS32259 [0,0,0,0,0,0|3,0,0]=3 92 B7R0.1 CCCNCCN=O TS04604 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.1 CCCOCCCN TS32295 [0,0,0,0,0,0|2,0,0]=2 94 B7R0.1 CCCSSCC=C TS40693 [0,0,0,0,0,0|2,1,1]=4 95 B7R0.1 CCCSSCCC TS40941 [0,0,0,0,0,0|2,1,0]=3 96 B7R0.1 CCNCCCCN TS36623 [0,0,0,0,0,0|3,0,0]=3 97 B7R0.1 CCNCCCCO TS32294 [0,0,0,0,0,0|2,0,0]=2 98 B7R0.1 CCNCCNCC TS32258 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.1 CCOCCCCCl TS06141 [0,0,0,0,0,0|3,0,0]=3 100 B7R0.1 CCOCCOCC TS32341 [0,0,0,0,0,0|4,0,0]=4 101 B7R0.1 CNCCCCC=C TS93899 [0,0,0,0,0,0|3,0,1]=4 102 B7R0.1 CNCCCCNC TS04634 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.1 CNCCNCCN TS32303 [0,0,0,0,0,0|3,0,0]=3 104 B7R0.1 COCCOCCBr TS48373 [0,0,0,0,0,0|2,0,0]=2 105 B7R0.1 COCCOCCCl TS37251 [0,0,0,0,0,0|2,0,0]=2 106 B7R0.1 CSCCCCSC TS40938 [0,0,0,0,0,0|4,0,0]=4 107 B6R0.6 C#CCCCCCl TS04652 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.6 C#CCCCCO TS31426 [1,0,0,0,0,0|0,0,2]=3 109 B6R0.6 C#CCOCCO TS31499 [1,0,0,0,0,0|0,0,2]=3 110 B6R0.6 C(CBr)OCCBr TS08788 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.6 C(CCBr)CC#N TS11479 [1,0,0,0,0,0|2,0,1]=4 112 B6R0.6 C(CCBr)CCBr TS07888 [1,0,0,0,0,0|2,0,0]=3 113 B6R0.6 C(CCCl)CC#N TS08706 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.6 C(CCCl)CC=O TS32450 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.6 C(CCCl)CCBr TS48788 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.6 C(CCCl)CCCl TS06550 [1,0,0,0,0,0|2,0,0]=3 117 B6R0.6 C(CCCl)CCI TS53384 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.6 C(CCCl)CC[Zn+] TS28126 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.6 C(CCI)CCI TS77462 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.6 C(CCN)CCN TS03978 [1,0,0,0,0,0|2,0,0]=3 121 B6R0.6 C(CCN)CCN TS45899 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.6 C(CCN)CCO TS04006 [1,0,0,0,0,0|1,0,0]=2 123 B6R0.6 C(CCO)CC=O TS03340 [1,0,0,0,0,0|1,0,1]=3 124 B6R0.6 C(CCO)CCBr TS09812 [1,0,0,0,0,0|1,0,0]=2 125 B6R0.6 C(CCO)CCCl TS71520 [1,0,0,0,0,0|1,0,0]=2 126 B6R0.6 C(CCO)CCO TS46820 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.6 C(CCS)CCS TS37065 [1,0,0,0,0,0|1,1,0]=3 128 B6R0.6 C(CC[Zn+])CC#N TS24406 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.6 C(CCl)NCCCl TS55773 [1,0,0,0,0,0|3,0,0]=4 130 B6R0.6 C(CCl)OCCCl TS00044 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.6 C(CI)OCCI TS63369 [1,0,0,0,0,0|2,0,0]=3 132 B6R0.6 C(CNCCN)N TS04014 [1,0,0,0,0,0|3,0,0]=4 133 B6R0.6 C(CNCCO)N TS00063 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.6 C(CO)NCCO TS04076 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.6 C(CO)NCCO TS37530 [1,0,0,0,0,0|2,0,0]=3 136 B6R0.6 C(CO)NCCO TS76269 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.6 C(COCC=O)O TS31664 [1,0,0,0,0,0|1,0,1]=3 138 B6R0.6 C(COCCCl)O TS36027 [1,0,0,0,0,0|1,0,0]=2 139 B6R0.6 C(COCCN)N TS04047 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.6 C(COCCN)N TS47125 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.6 C(COCCO)N TS04075 [1,0,0,0,0,0|1,0,0]=2 142 B6R0.6 C(COCCO)O TS01431 [1,0,0,0,0,0|1,0,0]=2 143 B6R0.6 C(COCCS)O TS32524 [1,0,0,0,0,0|1,0,0]=2 144 B6R0.6 C(CS)OCCS TS37236 [1,0,0,0,0,0|1,1,0]=3 145 B6R0.6 C(CSCCN)N TS32436 [1,0,0,0,0,0|2,1,0]=4 146 B6R0.6 C(CSCCO)N TS04873 [1,0,0,0,0,0|1,1,0]=3 147 B6R0.6 C(CSCCO)O TS32771 [1,0,0,0,0,0|1,1,0]=3 148 B6R0.6 C(CSCCS)S TS10516 [1,0,0,0,0,0|1,2,0]=4 149 B6R0.6 C=CCCCCBr TS33003 [1,0,0,0,0,0|1,0,2]=4 150 B6R0.6 C=CCCCCCl TS04773 [1,0,0,0,0,0|1,0,2]=4 151 B6R0.6 C=CCCCCN TS03830 [1,0,0,0,0,0|1,0,2]=4 152 B6R0.6 C=CCCCCO TS71562 [1,0,0,0,0,0|0,0,2]=3 153 B6R0.6 C=CCCOCCl TS04837 [1,0,0,0,0,0|1,0,2]=4 154 B6R0.6 C=CCOCCBr TS42844 [1,0,0,0,0,0|1,0,2]=4 155 B6R0.6 C=CCOCCCl TS32452 [1,0,0,0,0,0|1,0,2]=4 156 B6R0.6 C=CCOCCO TS31592 [1,0,0,0,0,0|0,0,2]=3 157 B6R0.6 CC=CCCCO TS31509 [1,0,0,0,0,0|0,0,2]=3 158 B6R0.6 CC=CCCCO TS31521 [1,0,0,0,0,0|0,0,2]=3 159 B6R0.6 CCC#COCC TS31433 [1,0,0,0,0,0|0,0,2]=3 160 B6R0.6 CCC=CCCO TS31511 [1,0,0,0,0,0|0,0,2]=3 161 B6R0.6 CCC=CCCO TS31515 [1,0,0,0,0,0|0,0,2]=3 162 B6R0.6 CCCC#CCC TS03730 [1,0,0,0,0,0|1,0,1]=3 163 B6R0.6 CCCC=CCO TS03865 [1,0,0,0,0,0|0,0,2]=3 164 B6R0.6 CCCCC#CC TS03724 [1,0,0,0,0,0|1,0,1]=3 165 B6R0.6 CCCCC=CBr TS11653 [1,0,0,0,0,0|1,0,2]=4 166 B6R0.6 CCCCC=CC TS03803 [1,0,0,0,0,0|1,0,1]=3 167 B6R0.6 CCCCCC#C TS03726 [1,0,0,0,0,0|1,0,1]=3 168 B6R0.6 CCCCCC#N TS31405 [1,0,0,0,0,0|1,0,1]=3 169 B6R0.6 CCCCCC=C TS31453 [1,0,0,0,0,0|1,0,1]=3 170 B6R0.6 CCCCCC=O TS39877 [1,0,0,0,0,0|0,0,2]=3 171 B6R0.6 CCCCCCBr TS00036 [1,0,0,0,0,0|1,0,0]=2 172 B6R0.6 CCCCCCC TS03885 [1,0,0,0,0,0|1,0,0]=2 173 B6R0.6 CCCCCCCl TS04842 [1,0,0,0,0,0|1,0,0]=2 174 B6R0.6 CCCCCCF TS31676 [1,0,0,0,0,0|1,0,0]=2 175 B6R0.6 CCCCCCI TS93973 [1,0,0,0,0,0|1,0,0]=2 176 B6R0.6 CCCCCCN TS31561 [1,0,0,0,0,0|1,0,0]=2 177 B6R0.6 CCCCCCN TS37145 [1,0,0,0,0,0|1,0,0]=2 178 B6R0.6 CCCCCCO TS39881 [1,0,0,0,0,0|0,0,0]=1 179 B6R0.6 CCCCCCS TS04753 [1,0,0,0,0,0|0,1,0]=2 180 B6R0.6 CCCCCC[SiH3] TS04643 [1,0,0,0,0,0|1,0,0]=2 181 B6R0.6 CCCCCC[Zn+] TS24970 [1,0,0,0,0,0|1,0,0]=2 182 B6R0.6 CCCCCNC TS03916 [1,0,0,0,0,0|2,0,0]=3 183 B6R0.6 CCCCCNN TS06331 [1,0,0,0,0,0|2,0,0]=3 184 B6R0.6 CCCCCSC TS04750 [1,0,0,0,0,0|2,0,0]=3 185 B6R0.6 CCCCC[Mg]Cl TS36578 [1,0,0,0,0,0|2,0,0]=3 186 B6R0.6 CCCCN=C=O TS93082 [1,0,0,0,0,0|1,0,2]=4 187 B6R0.6 CCCCN=C=S TS04546 [1,0,0,0,0,0|1,1,1]=4 188 B6R0.6 CCCCNC=O TS03902 [1,0,0,0,0,0|1,0,2]=4 189 B6R0.6 CCCCNCC TS03925 [1,0,0,0,0,0|1,0,0]=2 190 B6R0.6 CCCCOC=C TS33237 [1,0,0,0,0,0|0,0,2]=3 191 B6R0.6 CCCCOC=O TS03954 [1,0,0,0,0,0|0,0,2]=3 192 B6R0.6 CCCCOCC TS03964 [1,0,0,0,0,0|0,0,0]=1 193 B6R0.6 CCCCOCCl TS04949 [1,0,0,0,0,0|1,0,0]=2 194 B6R0.6 CCCCON=O TS31645 [1,0,0,0,0,0|1,0,1]=3 195 B6R0.6 CCCCSC#N TS04545 [1,0,0,0,0,0|1,1,1]=4 196 B6R0.6 CCCCSCC TS04749 [1,0,0,0,0,0|0,1,0]=2 197 B6R0.6 CCCCS[SnH]=O TS23939 [1,0,0,0,0,0|1,1,1]=4 198 B6R0.6 CCCNCCC TS39857 [1,0,0,0,0,0|2,0,0]=3 199 B6R0.6 CCCNCCN TS03973 [1,0,0,0,0,0|2,0,0]=3 200 B6R0.6 CCCNCCO TS04001 [1,0,0,0,0,0|1,0,0]=2 201 B6R0.6 CCCOCCC TS03967 [1,0,0,0,0,0|1,0,0]=2 202 B6R0.6 CCCOCCC TS49356 [1,0,0,0,0,0|1,0,0]=2 203 B6R0.6 CCCOCCCl TS04951 [1,0,0,0,0,0|1,0,0]=2 204 B6R0.6 CCCOCCN TS04012 [1,0,0,0,0,0|1,0,0]=2 205 B6R0.6 CCCSC=CC TS04637 [1,0,0,0,0,0|2,0,1]=4 206 B6R0.6 CCCSCC=C TS04636 [1,0,0,0,0,0|1,1,1]=4 207 B6R0.6 CCCSCCC TS04756 [1,0,0,0,0,0|1,1,0]=3 208 B6R0.6 CCCSCCO TS32433 [1,0,0,0,0,0|0,1,0]=2 209 B6R0.6 CCCSSCC TS37066 [1,0,0,0,0,0|1,1,0]=3 210 B6R0.6 CCCSSSC TS10513 [1,0,0,0,0,0|2,1,0]=4 211 B6R0.6 CCC[Hg]CCC TS35002 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.6 CCNCCC#N TS03784 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.6 CCNCCCN TS03975 [1,0,0,0,0,0|2,0,0]=3 214 B6R0.6 CCNCCNC TS03972 [1,0,0,0,0,0|2,0,0]=3 215 B6R0.6 CCOCCC#N TS03822 [1,0,0,0,0,0|1,0,1]=3 216 B6R0.6 CCOCCCBr TS12340 [1,0,0,0,0,0|1,0,0]=2 217 B6R0.6 CCOCCCCl TS04950 [1,0,0,0,0,0|1,0,0]=2 218 B6R0.6 CCOCCCN TS04010 [1,0,0,0,0,0|1,0,0]=2 219 B6R0.6 CCOCCCO TS04028 [1,0,0,0,0,0|1,0,0]=2 220 B6R0.6 CCOCCOC TS04027 [1,0,0,0,0,0|1,0,0]=2 221 B6R0.6 CCOCOCC TS74492 [1,0,0,0,0,0|1,0,0]=2 222 B6R0.6 CCSCCCO TS32432 [1,0,0,0,0,0|1,0,0]=2 223 B6R0.6 CCSSSCC TS10514 [1,0,0,0,0,0|2,1,0]=4 224 B6R0.6 CNCCCNC TS56351 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.6 COCCCCBr TS03145 [1,0,0,0,0,0|2,0,0]=3 226 B6R0.6 COCCCCCl TS39592 [1,0,0,0,0,0|2,0,0]=3 227 B6R0.6 COCCCCO TS07977 [1,0,0,0,0,0|1,0,0]=2 228 B6R0.6 COCCOC=C TS03941 [1,0,0,0,0,0|1,0,2]=4 229 B6R0.6 COCCOCCl TS39595 [1,0,0,0,0,0|2,0,0]=3 230 B6R0.6 COCOCCBr TS44958 [1,0,0,0,0,0|2,0,0]=3 231 B6R0.6 CSCCCCO TS32429 [1,0,0,0,0,0|1,0,0]=2 232 B6R0.6 CSCCCSC TS37067 [1,0,0,0,0,0|3,0,0]=4 233 B6R0.6 [Li]CCCCCC TS03654 [1,0,0,0,0,0|1,0,0]=2 234 B8R0.1 C(CS)C(=O)OCCO TS40886 [0,1,0,0,0,0|1,0,1]=3 235 B8R0.1 CCCC(=O)OCC=C TS05341 [0,1,0,0,0,0|1,0,2]=4 236 B8R0.1 CCCC(=O)OCCC TS05549 [0,1,0,0,0,0|1,0,1]=3 237 B8R0.1 CCCC(=O)OCSC TS07493 [0,1,0,0,0,0|2,0,1]=4 238 B8R0.1 CCCC(C)CCCO TS36530 [0,1,0,0,0,0|1,0,0]=2 239 B8R0.1 CCCCC(=O)CCC TS36329 [0,1,0,0,0,0|2,0,0]=3 240 B8R0.1 CCCCC(=O)OCC TS36495 [0,1,0,0,0,0|3,0,0]=4 241 B8R0.1 CCCCC(C)CCC TS05416 [0,1,0,0,0,0|2,0,0]=3 242 B8R0.1 CCCCC(C)CCO TS05597 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.1 CCCCC(CC=C)O TS36339 [0,1,0,0,0,0|2,0,1]=4 244 B8R0.1 CCCCC(CCC)Br TS51606 [0,1,0,0,0,0|2,0,0]=3 245 B8R0.1 CCCCC(CCC)Cl TS07522 [0,1,0,0,0,0|2,0,0]=3 246 B8R0.1 CCCCC(CCC)I TS26461 [0,1,0,0,0,0|2,0,0]=3 247 B8R0.1 CCCCC(CCC)O TS36547 [0,1,0,0,0,0|2,0,0]=3 248 B8R0.1 CCCCN(C)CCN TS05610 [0,1,0,0,0,0|2,0,0]=3 249 B8R0.1 CCCC[C@@H](C)CCO TS36538 [0,1,0,0,0,0|1,0,0]=2 250 B8R0.1 CN(CCCN)CCO TS36698 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.4 C#CCCCCCCO TS05177 [0,1,0,0,0,0|1,0,1]=3 252 B8R0.4 C(CCCBr)CCC#N TS51024 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.4 C(CCCBr)CCCBr TS68070 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.4 C(CCCCl)CCC#N TS07151 [0,1,0,0,0,0|2,0,1]=4 255 B8R0.4 C(CCCCl)CCCCl TS44969 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.4 C(CCCN)CCCN TS05605 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.4 C(CCCN)CCCO TS36619 [0,1,0,0,0,0|1,0,0]=2 258 B8R0.4 C(CCCO)CCCBr TS55654 [0,1,0,0,0,0|1,0,0]=2 259 B8R0.4 C(CCCO)CCCO TS36690 [0,1,0,0,0,0|1,0,0]=2 260 B8R0.4 C(CCC[Zn+])CCC#N TS67764 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.4 C(CCNCCO)CN TS36704 [0,1,0,0,0,0|1,0,0]=2 262 B8R0.4 C(CCl)OCOCCCl TS13295 [0,1,0,0,0,0|2,0,0]=3 263 B8R0.4 C(CN)CNCCCN TS36625 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.4 C(CN)COCCCN TS36713 [0,1,0,0,0,0|2,0,0]=3 265 B8R0.4 C(CNCCCO)CO TS02184 [0,1,0,0,0,0|2,0,0]=3 266 B8R0.4 C(CO)CSCCCO TS09957 [0,1,0,0,0,0|1,1,0]=3 267 B8R0.4 C(CSCSCCO)O TS44931 [0,1,0,0,0,0|1,1,0]=3 268 B8R0.4 C=CCCCC=CCO TS05204 [0,1,0,0,0,0|1,0,2]=4 269 B8R0.4 C=CCCCCCCBr TS01315 [0,1,0,0,0,0|2,0,1]=4 270 B8R0.4 C=CCCCCCCO TS05382 [0,1,0,0,0,0|1,0,1]=3 271 B8R0.4 C=COCCOCCO TS05733 [0,1,0,0,0,0|0,0,2]=3 272 B8R0.4 CCC=CCCCCO TS36323 [0,1,0,0,0,0|1,0,1]=3 273 B8R0.4 CCCC#CCCCCl TS07053 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.4 CCCC=CC=CCO TS36154 [0,1,0,0,0,0|1,0,2]=4 275 B8R0.4 CCCCC#CCC=C TS04924 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.4 CCCCC#CCCC TS05048 [0,1,0,0,0,0|2,0,0]=3 277 B8R0.4 CCCCC#CCCO TS36147 [0,1,0,0,0,0|1,0,0]=2 278 B8R0.4 CCCCC=CCCC TS05206 [0,1,0,0,0,0|2,0,0]=3 279 B8R0.4 CCCCC=CCCO TS36327 [0,1,0,0,0,0|1,0,0]=2 280 B8R0.4 CCCCC=COCC TS05398 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.4 CCCCCC#CCBr TS50858 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.4 CCCCCC#CCC TS05059 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.4 CCCCCC#CCCl TS07054 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.4 CCCCCC#CCO TS05190 [0,1,0,0,0,0|1,0,1]=3 285 B8R0.4 CCCCCC=CCC TS36181 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.4 CCCCCC=CCO TS05393 [0,1,0,0,0,0|1,0,1]=3 287 B8R0.4 CCCCCCC#CC TS05062 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.4 CCCCCCC=CC TS05227 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.4 CCCCCCC=NO TS36429 [0,1,0,0,0,0|1,0,1]=3 290 B8R0.4 CCCCCCCC#C TS05045 [0,1,0,0,0,0|2,0,0]=3 291 B8R0.4 CCCCCCCC#N TS05112 [0,1,0,0,0,0|2,0,0]=3 292 B8R0.4 CCCCCCCC=C TS05208 [0,1,0,0,0,0|2,0,0]=3 293 B8R0.4 CCCCCCCC=O TS05399 [0,1,0,0,0,0|1,0,1]=3 294 B8R0.4 CCCCCCCCBr TS00038 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.4 CCCCCCCCC TS05427 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.4 CCCCCCCCCl TS07517 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.4 CCCCCCCCF TS05771 [0,1,0,0,0,0|2,0,0]=3 298 B8R0.4 CCCCCCCCN TS05489 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.4 CCCCCCCCN TS12120 [0,1,0,0,0,0|2,0,0]=3 300 B8R0.4 CCCCCCCCN TS20855 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.4 CCCCCCCCO TS36550 [0,1,0,0,0,0|1,0,0]=2 302 B8R0.4 CCCCCCCCS TS40481 [0,1,0,0,0,0|1,1,0]=3 303 B8R0.4 CCCCCCCC[Si] TS07042 [0,1,0,0,0,0|2,0,0]=3 304 B8R0.4 CCCCCCCNC TS05499 [0,1,0,0,0,0|2,0,0]=3 305 B8R0.4 CCCCCCN=C=O TS36237 [0,1,0,0,0,0|1,0,2]=4 306 B8R0.4 CCCCCCN=C=S TS06881 [0,1,0,0,0,0|1,1,1]=4 307 B8R0.4 CCCCCCNCC TS05500 [0,1,0,0,0,0|2,0,0]=3 308 B8R0.4 CCCCCCOC=O TS36508 [0,1,0,0,0,0|1,0,2]=4 309 B8R0.4 CCCCCCSCC TS40479 [0,1,0,0,0,0|2,0,0]=3 310 B8R0.4 CCCCCNCCO TS36622 [0,1,0,0,0,0|1,0,0]=2 311 B8R0.4 CCCCCOCC=C TS05379 [0,1,0,0,0,0|1,0,1]=3 312 B8R0.4 CCCCCOCCO TS36691 [0,1,0,0,0,0|0,0,0]=1 313 B8R0.4 CCCCNCCC#N TS36164 [0,1,0,0,0,0|2,0,0]=3 314 B8R0.4 CCCCNCCCC TS55846 [0,1,0,0,0,0|2,0,0]=3 315 B8R0.4 CCCCOCCC#N TS36235 [0,1,0,0,0,0|1,0,0]=2 316 B8R0.4 CCCCOCCCC TS05599 [0,1,0,0,0,0|1,0,0]=2 317 B8R0.4 CCCCOCCCN TS36614 [0,1,0,0,0,0|1,0,0]=2 318 B8R0.4 CCCCPCCCC TS40455 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.4 CCCCSCCCC TS40480 [0,1,0,0,0,0|1,1,0]=3 320 B8R0.4 CCCC[GeH2]CCCC TS16104 [0,1,0,0,0,0|2,0,0]=3 321 B8R0.4 CCCC[Hg]CCCC TS76737 [0,1,0,0,0,0|2,0,0]=3 322 B8R0.4 CCCC[NH2+]CCCC TS49201 [0,1,0,0,0,0|2,0,0]=3 323 B8R0.4 CCCC[Sn+2]CCCC TS64754 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.4 CCCC[Sn+2]CCCC TS78833 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.4 CCCC[Sn+2]CCCC TS79757 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.4 CCCC[Te]CCCC TS57621 [0,1,0,0,0,0|1,1,0]=3 327 B8R0.4 CCCC[Zn]CCCC TS14479 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.4 CCCOCOCCC TS05761 [0,1,0,0,0,0|1,0,0]=2 329 B8R0.4 CCCSSSCCC TS15052 [0,1,0,0,0,0|2,1,0]=4 330 B8R0.4 CCNCCCNCC TS05606 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.4 CCOCCOCCO TS05898 [0,1,0,0,0,0|0,0,0]=1 332 B8R0.4 CNCCCCCCO TS36615 [0,1,0,0,0,0|1,0,0]=2 333 B8R0.4 COCCCCCOC TS36689 [0,1,0,0,0,0|2,0,0]=3 334 B8R0.4 COCCNCCOC TS05839 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.4 COCCOCCCBr TS53805 [0,1,0,0,0,0|1,0,0]=2 336 B8R0.4 COCCOCCCN TS05831 [0,1,0,0,0,0|1,0,0]=2 337 B8R0.4 COCCOCCOC TS36825 [0,1,0,0,0,0|1,0,0]=2 338 B8R0.4 [B+](CCCC)CCCC TS33566 [0,1,0,0,0,0|2,0,0]=3 339 B8R0.6 C#CCOCC(CO)O TS05514 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.6 C(CCO)CC(CO)O TS05901 [0,1,0,0,0,0|2,0,0]=3 341 B8R0.6 C=CCOCC(CO)O TS05712 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.6 CCC#CCC(CC)O TS05178 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.6 CCC(C)CCCCO TS36535 [0,1,0,0,0,0|1,0,0]=2 344 B8R0.6 CCCCCC(=O)CC TS36343 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.6 CCCCCC(=O)NO TS05662 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.6 CCCCCC(C#C)O TS05191 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.6 CCCCCC(C)CC TS05415 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.6 CCCCCC(C)CO TS36542 [0,1,0,0,0,0|1,0,0]=2 349 B8R0.6 CCCCCC(C=C)O TS36349 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.6 CCCCCC(CC)Br TS51604 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.6 CCCCCC(CC)Cl TS07523 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.6 CCCCCC(CC)O TS36536 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.6 CCCCCC(CO)O TS05756 [0,1,0,0,0,0|1,0,0]=2 354 B8R0.6 CCCCC[C@@H](C#C)O TS36148 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.6 CCCCC[C@@H](C=C)O TS36348 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.6 CCCCNC(=O)CC TS36435 [0,1,0,0,0,0|2,0,1]=4 357 B8R0.6 CCCCNC(=O)CCl TS40802 [0,1,0,0,0,0|2,0,1]=4 358 B8R0.6 CCCCOC(=O)C#C TS05149 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.6 CCCCOC(=O)C=C TS36291 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.6 CCCCOC(=O)C=O TS36470 [0,1,0,0,0,0|0,0,3]=4 361 B8R0.6 CCCCOC(=O)CC TS05554 [0,1,0,0,0,0|1,0,1]=3 362 B8R0.6 CCCCOC(=O)CCl TS09968 [0,1,0,0,0,0|1,0,1]=3 363 B8R0.6 CCCCOC(=O)CF TS05889 [0,1,0,0,0,0|1,0,1]=3 364 B8R0.6 CCCCOC(=O)CN TS12446 [0,1,0,0,0,0|1,0,1]=3 365 B8R0.6 CCCCOC(=O)CO TS05729 [0,1,0,0,0,0|0,0,1]=2 366 B8R0.6 CCCCOC(=O)CS TS07490 [0,1,0,0,0,0|0,1,1]=3 367 B8R0.6 CCCCOC(=S)S[K] TS50815 [0,1,0,0,0,0|2,0,1]=4 368 B8R0.6 CC[C@H](C)CCCCO TS05594 [0,1,0,0,0,0|1,0,0]=2 369 B8R0.6 COCCOC(=O)CCl TS10245 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.7 B(C=CCCCC)(O)O TS05299 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.7 B(CCCCCC)(O)O TS32717 [0,1,0,0,0,0|2,0,0]=3 372 B8R0.7 C(CCC(=O)O)CCBr TS55559 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.7 C(CCC(=O)O)CCCl TS09966 [0,1,0,0,0,0|2,0,1]=4 374 B8R0.7 C(CCC(=O)O)CCN TS33197 [0,1,0,0,0,0|2,0,1]=4 375 B8R0.7 C(CCC(=O)O)CCN TS94650 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.7 C(CCC(=O)O)CCO TS55607 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.7 CC(C)CCCCCBr TS51602 [0,1,0,0,0,0|2,0,0]=3 378 B8R0.7 CC(C)CCCCCN TS05491 [0,1,0,0,0,0|2,0,0]=3 379 B8R0.7 CC(C)COCCCN TS36620 [0,1,0,0,0,0|2,0,0]=3 380 B8R0.7 CC(C)NCCCCO TS93789 [0,1,0,0,0,0|2,0,0]=3 381 B8R0.7 CCC#CCCC(C)C TS05053 [0,1,0,0,0,0|2,0,1]=4 382 B8R0.7 CCCC#CCC(C)O TS36161 [0,1,0,0,0,0|1,0,1]=3 383 B8R0.7 CCCC=CCC(=O)O TS36290 [0,1,0,0,0,0|1,0,2]=4 384 B8R0.7 CCCCC#CC(=O)O TS36120 [0,1,0,0,0,0|1,0,2]=4 385 B8R0.7 CCCCC=CC(=O)O TS05335 [0,1,0,0,0,0|1,0,2]=4 386 B8R0.7 CCCCC=CC(C)O TS05371 [0,1,0,0,0,0|1,0,1]=3 387 B8R0.7 CCCCCCC(=O)C TS36325 [0,1,0,0,0,0|1,0,2]=4 388 B8R0.7 CCCCCCC(=O)Cl TS07515 [0,1,0,0,0,0|1,0,2]=4 389 B8R0.7 CCCCCCC(=O)N TS36432 [0,1,0,0,0,0|1,0,2]=4 390 B8R0.7 CCCCCCC(=O)O TS05558 [0,1,0,0,0,0|1,0,1]=3 391 B8R0.7 CCCCCCC(=O)[O-] TS10169 [0,1,0,0,0,0|1,0,2]=4 392 B8R0.7 CCCCCCC(C)Br TS51603 [0,1,0,0,0,0|2,0,0]=3 393 B8R0.7 CCCCCCC(C)C TS05423 [0,1,0,0,0,0|2,0,0]=3 394 B8R0.7 CCCCCCC(C)Cl TS07520 [0,1,0,0,0,0|2,0,0]=3 395 B8R0.7 CCCCCCC(C)I TS26460 [0,1,0,0,0,0|2,0,0]=3 396 B8R0.7 CCCCCCC(C)N TS05493 [0,1,0,0,0,0|2,0,0]=3 397 B8R0.7 CCCCCCC(C)O TS05590 [0,1,0,0,0,0|1,0,0]=2 398 B8R0.7 CCCCCCC(C)S TS40477 [0,1,0,0,0,0|1,1,0]=3 399 B8R0.7 CCCCCC[C@@H](C)N TS05497 [0,1,0,0,0,0|2,0,0]=3 400 B8R0.7 CCCCCC[C@@H](C)O TS05598 [0,1,0,0,0,0|1,0,0]=2 401 B8R0.7 CCCCCC[C@H](C)N TS05488 [0,1,0,0,0,0|2,0,0]=3 402 B8R0.7 CCCCCC[C@H](C)O TS46634 [0,1,0,0,0,0|1,0,0]=2 403 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.7 CCCCCC[SiH](Cl)Cl TS48718 [0,1,0,0,0,0|2,1,0]=4 405 B8R0.7 CCCCOCC(=O)O TS05720 [0,1,0,0,0,0|0,0,1]=2 406 B8R0.7 CCCCOCC(C)O TS05758 [0,1,0,0,0,0|0,0,0]=1 407 B8R0.7 CN(C)CCOCCO TS05833 [0,1,0,0,0,0|1,0,0]=2 408 B8R0.7 COCCOCC(=O)O TS08222 [0,1,0,0,0,0|1,0,1]=3 409 B8R1.2 C#CC1CCCOC1 TS85837 [0,0,0,1,0,0|1,0,2]=4 410 B8R1.2 C1CC(CC=C1)CO TS31925 [0,0,0,1,0,0|1,0,2]=4 411 B8R1.2 C1CC(CC=C1)CO TS93417 [0,0,0,1,0,0|1,0,2]=4 412 B8R1.2 C1CC(CNC1)CO TS88392 [0,0,0,1,0,0|2,0,0]=3 413 B8R1.2 C1CC(COC1)C=O TS16821 [0,0,0,1,0,0|2,0,1]=4 414 B8R1.2 C1CC(COC1)CBr TS86643 [0,0,0,1,0,0|2,0,0]=3 415 B8R1.2 C1CC(COC1)CN TS46681 [0,0,0,1,0,0|2,0,0]=3 416 B8R1.2 C1CC(COC1)CO TS86137 [0,0,0,1,0,0|2,0,0]=3 417 B8R1.2 C1CC(OC=C1)CO TS04428 [0,0,0,1,0,0|0,0,2]=3 418 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,0,0,1,0,0|2,0,1]=4 419 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,0,0,1,0,0|2,0,1]=4 420 B8R1.2 C1CCC(CC1)C#N TS31808 [0,0,0,1,0,0|2,0,1]=4 421 B8R1.2 C1CCC(CC1)C#N TS40668 [0,0,0,1,0,0|2,0,1]=4 422 B8R1.2 C1CCC(CC1)C=O TS01404 [0,0,0,1,0,0|1,0,2]=4 423 B8R1.2 C1CCC(CC1)CBr TS46572 [0,0,0,1,0,0|2,0,0]=3 424 B8R1.2 C1CCC(CC1)CCl TS36740 [0,0,0,1,0,0|2,0,0]=3 425 B8R1.2 C1CCC(CC1)CN TS04402 [0,0,0,1,0,0|2,0,0]=3 426 B8R1.2 C1CCC(CC1)CO TS04473 [0,0,0,1,0,0|1,0,0]=2 427 B8R1.2 C1CCC(CC1)CS TS05617 [0,0,0,1,0,0|1,1,0]=3 428 B8R1.2 C1CCC(CC1)NO TS10098 [0,0,0,1,0,0|2,0,0]=3 429 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,0,0,1,0,0|3,0,0]=4 430 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,0,0,1,0,0|3,0,0]=4 431 B8R1.2 C1CCN(CC1)CCl TS05849 [0,0,0,1,0,0|3,0,0]=4 432 B8R1.2 C1CCN(CC1)CO TS32161 [0,0,0,1,0,0|2,0,0]=3 433 B8R1.2 C1CCNC(C1)C#N TS85344 [0,0,0,1,0,0|2,0,1]=4 434 B8R1.2 C1CCNC(C1)C=O TS04396 [0,0,0,1,0,0|1,0,2]=4 435 B8R1.2 C1CCNC(C1)CN TS02462 [0,0,0,1,0,0|2,0,0]=3 436 B8R1.2 C1CCNC(C1)CO TS02460 [0,0,0,1,0,0|1,0,0]=2 437 B8R1.2 C1CCOC(C1)CCl TS05953 [0,0,0,1,0,0|1,0,0]=2 438 B8R1.2 C1CCOC(C1)CN TS59436 [0,0,0,1,0,0|1,0,0]=2 439 B8R1.2 C1CCOC(C1)CN TS59437 [0,0,0,1,0,0|1,0,0]=2 440 B8R1.2 C1CCOC(C1)CO TS59577 [0,0,0,1,0,0|0,0,0]=1 441 B8R1.2 C1CCOC(C1)ON TS59328 [0,0,0,1,0,0|2,0,0]=3 442 B8R1.2 C1CN(CCN1)CO TS04601 [0,0,0,1,0,0|3,0,0]=4 443 B8R1.2 C1CNCCC1CF TS86720 [0,0,0,1,0,0|3,0,0]=4 444 B8R1.2 C1CNCCC1CN TS16890 [0,0,0,1,0,0|3,0,0]=4 445 B8R1.2 C1CNCCC1CO TS85529 [0,0,0,1,0,0|2,0,0]=3 446 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [0,0,0,1,0,0|2,0,0]=3 447 B8R1.2 C1COC(CN1)C#N TS59804 [0,0,0,1,0,0|2,0,1]=4 448 B8R1.2 C1COC(CN1)CN TS86947 [0,0,0,1,0,0|2,0,0]=3 449 B8R1.2 C1COC(CN1)CO TS55399 [0,0,0,1,0,0|1,0,0]=2 450 B8R1.2 C1COC(CO1)CI TS52574 [0,0,0,1,0,0|1,0,0]=2 451 B8R1.2 C1COC(CO1)CN TS08685 [0,0,0,1,0,0|1,0,0]=2 452 B8R1.2 C1COCC(N1)CO TS02790 [0,0,0,1,0,0|2,0,0]=3 453 B8R1.2 C1COCC(N1)CO TS41317 [0,0,0,1,0,0|2,0,0]=3 454 B8R1.2 C1COCCC1CBr TS16902 [0,0,0,1,0,0|3,0,0]=4 455 B8R1.2 C1COCCC1CI TS24100 [0,0,0,1,0,0|3,0,0]=4 456 B8R1.2 C1COCCC1CN TS03003 [0,0,0,1,0,0|3,0,0]=4 457 B8R1.2 C1COCCC1CN TS07685 [0,0,0,1,0,0|3,0,0]=4 458 B8R1.2 C1COCCC1CO TS59440 [0,0,0,1,0,0|2,0,0]=3 459 B8R1.2 C1COC[C@@H](N1)CO TS41310 [0,0,0,1,0,0|2,0,0]=3 460 B8R1.2 C1COC[C@H](N1)CO TS32280 [0,0,0,1,0,0|2,0,0]=3 461 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [0,0,0,1,0,0|1,0,0]=2 462 B8R1.2 C1CO[C@H](CN1)CO TS46590 [0,0,0,1,0,0|1,0,0]=2 463 B8R1.2 C1CSCCC1CN TS91963 [0,0,0,1,0,0|3,0,0]=4 464 B8R1.2 C1CSCCC1CO TS90016 [0,0,0,1,0,0|2,0,0]=3 465 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [0,0,0,1,0,0|2,0,0]=3 466 B8R1.2 C1C[C@H](CNC1)CO TS46591 [0,0,0,1,0,0|2,0,0]=3 467 B8R1.2 CCC1=CCCCC1 TS31842 [0,0,0,1,0,0|2,0,1]=4 468 B8R1.2 CCC1CCCCC1 TS04342 [0,0,0,1,0,0|2,0,0]=3 469 B8R1.2 CCC1CCCCN1 TS04398 [0,0,0,1,0,0|2,0,0]=3 470 B8R1.2 CCC1CNCCN1 TS55315 [0,0,0,1,0,0|2,0,0]=3 471 B8R1.2 CCN1CCCCC1 TS00439 [0,0,0,1,0,0|3,0,0]=4 472 B8R1.2 CCN1CCCCC1 TS32031 [0,0,0,1,0,0|3,0,0]=4 473 B8R1.2 CC[C@@H]1CNCCN1 TS04491 [0,0,0,1,0,0|2,0,0]=3 474 B8R1.2 CC[C@@H]1CNCCN1 TS49029 [0,0,0,1,0,0|2,0,0]=3 475 B8R1.2 CNC1CCCCC1 TS08095 [0,0,0,1,0,0|3,0,0]=4 476 B8R1.2 CNC1CCCNC1 TS77173 [0,0,0,1,0,0|3,0,0]=4 477 B8R1.2 COC1CCCCC1 TS32092 [0,0,0,1,0,0|3,0,0]=4 478 B8R1.2 COC1CCCNC1 TS86602 [0,0,0,1,0,0|3,0,0]=4 479 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [0,0,0,1,0,0|3,0,0]=4 480 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [0,0,0,1,0,0|3,0,0]=4 481 B8R1.2 CO[C@H]1CCCNC1 TS86418 [0,0,0,1,0,0|3,0,0]=4 482 B8R1.2 CO[C@H]1CCCNC1 TS90968 [0,0,0,1,0,0|3,0,0]=4 483 B8R1.2 CSC1CCCCC1 TS05616 [0,0,0,1,0,0|3,0,0]=4 484 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,0,0,1,0,0|3,0,0]=4 485 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,0,1,0,0|2,0,1]=4 486 B8R1.5 C1CCC(C(C1)Br)Br TS26769 [0,0,0,1,0,0|3,0,0]=4 487 B8R1.5 C1CCC(C(C1)F)Br TS48027 [0,0,0,1,0,0|3,0,0]=4 488 B8R1.5 C1CCC(C(C1)N)N TS21352 [0,0,0,1,0,0|3,0,0]=4 489 B8R1.5 C1CCC(C(C1)N)N TS67173 [0,0,0,1,0,0|3,0,0]=4 490 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,0,0,1,0,0|2,0,0]=3 491 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,0,0,1,0,0|2,0,0]=3 492 B8R1.5 C1CC[C@@H]([C@@H](C1)Cl)Cl TS10277 [0,0,0,1,0,0|3,0,0]=4 493 B8R1.5 C1CC[C@@H]([C@@H](C1)N)N TS04490 [0,0,0,1,0,0|3,0,0]=4 494 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,0,0,1,0,0|2,0,0]=3 495 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS07988 [0,0,0,1,0,0|3,0,0]=4 496 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS22908 [0,0,0,1,0,0|3,0,0]=4 497 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS93093 [0,0,0,1,0,0|3,0,0]=4 498 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,0,0,1,0,0|2,0,0]=3 499 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,0,0,1,0,0|2,0,0]=3 500 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br TS26767 [0,0,0,1,0,0|3,0,0]=4 501 B8R1.5 C1CC[C@H]([C@@H](C1)Cl)Cl TS10275 [0,0,0,1,0,0|3,0,0]=4 502 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS01623 [0,0,0,1,0,0|3,0,0]=4 503 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS09980 [0,0,0,1,0,0|3,0,0]=4 504 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93516 [0,0,0,1,0,0|3,0,0]=4 505 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93952 [0,0,0,1,0,0|3,0,0]=4 506 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,0,0,1,0,0|2,0,0]=3 508 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,0,0,1,0,0|2,0,0]=3 509 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,0,0,1,0,0|2,0,0]=3 510 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,0,0,1,0,0|2,0,0]=3 511 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,0,0,1,0,0|2,0,0]=3 512 B8R1.5 C1CNC[C@H]([C@@H]1F)F TS92380 [0,0,0,1,0,0|3,0,0]=4 513 B8R1.5 C1CNC[C@H]([C@@H]1F)O TS90614 [0,0,0,1,0,0|2,0,0]=3 514 B8R1.5 C1CNC[C@H]([C@@H]1O)F TS92239 [0,0,0,1,0,0|3,0,0]=4 515 B8R1.5 C1CNC[C@H]([C@H]1F)F TS92601 [0,0,0,1,0,0|3,0,0]=4 516 B8R1.5 C1CNC[C@H]([C@H]1O)F TS92722 [0,0,0,1,0,0|3,0,0]=4 517 B8R1.5 C1COCC(C1=O)Br TS87523 [0,0,0,1,0,0|2,0,1]=4 518 B8R1.5 C1COCC(C1=O)F TS90072 [0,0,0,1,0,0|2,0,1]=4 519 B8R1.5 C1COC[C@@H]([C@H]1O)N TS88734 [0,0,0,1,0,0|2,0,0]=3 520 B8R1.5 C1COC[C@H]([C@@H]1N)O TS89107 [0,0,0,1,0,0|1,0,0]=2 521 B8R1.5 C1COC[C@H]([C@@H]1O)N TS90817 [0,0,0,1,0,0|2,0,0]=3 522 B8R1.5 C1COC[C@H]([C@H]1N)O TS90200 [0,0,0,1,0,0|1,0,0]=2 523 B8R1.5 C1[C@H]([C@@H](CSS1)O)O TS33123 [0,0,0,1,0,0|2,1,0]=4 524 B8R1.5 CC1CCCCC1=C TS31851 [0,0,0,1,0,0|2,0,1]=4 525 B8R1.5 CC1CCCCC1=O TS01136 [0,0,0,1,0,0|1,0,2]=4 526 B8R1.5 CC1CCCCC1C TS31973 [0,0,0,1,0,0|2,0,0]=3 527 B8R1.5 CC1CCCCC1N TS32030 [0,0,0,1,0,0|2,0,0]=3 528 B8R1.5 CC1CCCCC1O TS32109 [0,0,0,1,0,0|1,0,0]=2 529 B8R1.5 CC1CCCNC1C TS22984 [0,0,0,1,0,0|3,0,0]=4 530 B8R1.5 CC1CCNCC1=O TS92225 [0,0,0,1,0,0|1,0,2]=4 531 B8R1.5 CC1CCNCC1O TS92278 [0,0,0,1,0,0|1,0,0]=2 532 B8R1.5 CC1CNCCC1O TS03118 [0,0,0,1,0,0|2,0,0]=3 533 B8R1.5 CC1CNCCN1C TS00350 [0,0,0,1,0,0|3,0,0]=4 534 B8R1.5 CC1COCCC1=O TS89718 [0,0,0,1,0,0|2,0,1]=4 535 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,0,0,1,0,0|2,0,0]=3 536 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,0,0,1,0,0|2,0,0]=3 537 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,0,0,1,0,0|1,0,0]=2 538 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [0,0,0,1,0,0|1,0,0]=2 539 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [0,0,0,1,0,0|1,0,0]=2 540 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [0,0,0,1,0,0|1,0,0]=2 541 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [0,0,0,1,0,0|2,0,0]=3 542 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [0,0,0,1,0,0|2,0,0]=3 543 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,0,0,1,0,0|1,0,0]=2 544 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [0,0,0,1,0,0|1,0,0]=2 545 B8R1.8 C#CCC1CCCC1 TS04146 [0,0,0,1,0,0|2,0,1]=4 546 B8R1.8 C1CC(NC1)CCO TS91871 [0,0,0,1,0,0|2,0,0]=3 547 B8R1.8 C1CCC(C1)CCN TS00978 [0,0,0,1,0,0|2,0,0]=3 548 B8R1.8 C1CCC(C1)CCO TS04478 [0,0,0,1,0,0|1,0,0]=2 549 B8R1.8 C1CCN(C1)CC#N TS04203 [0,0,0,1,0,0|2,0,1]=4 550 B8R1.8 C1CCN(C1)CCBr TS46380 [0,0,0,1,0,0|2,0,0]=3 551 B8R1.8 C1CCN(C1)CCN TS32117 [0,0,0,1,0,0|2,0,0]=3 552 B8R1.8 C1CCN(C1)CCO TS32173 [0,0,0,1,0,0|1,0,0]=2 553 B8R1.8 C1CNCC1CCO TS88089 [0,0,0,1,0,0|2,0,0]=3 554 B8R1.8 C1COC(O1)CCBr TS47043 [0,0,0,1,0,0|1,0,0]=2 555 B8R1.8 C1COC(O1)CCCl TS06134 [0,0,0,1,0,0|1,0,0]=2 556 B8R1.8 C1COC(O1)CCN TS39612 [0,0,0,1,0,0|1,0,0]=2 557 B8R1.8 C1COC(O1)C[Mg]Br TS51359 [0,0,0,1,0,0|2,0,0]=3 558 B8R1.8 C1COCN1CCO TS04674 [0,0,0,1,0,0|2,0,0]=3 559 B8R1.8 C1CSCN1CCS TS07619 [0,0,0,1,0,0|2,1,0]=4 560 B8R1.8 CCCC1=NCCN1 TS04325 [0,0,0,1,0,0|2,0,1]=4 561 B8R1.8 CCCC1CCCC1 TS31955 [0,0,0,1,0,0|2,0,0]=3 562 B8R1.8 CCCC1CCCC1 TS57165 [0,0,0,1,0,0|2,0,0]=3 563 B8R1.8 CCCC1CCCC1 TS67057 [0,0,0,1,0,0|2,0,0]=3 564 B8R1.8 CCCC1CCCC1 TS69588 [0,0,0,1,0,0|2,0,0]=3 565 B8R1.8 CCCC1CCCC1 TS69915 [0,0,0,1,0,0|2,0,0]=3 566 B8R1.8 CCCC1CCCC1 TS72093 [0,0,0,1,0,0|2,0,0]=3 567 B8R1.8 CCCC1CCCC1 TS72534 [0,0,0,1,0,0|2,0,0]=3 568 B8R1.8 CCCC1CCCC1 TS81524 [0,0,0,1,0,0|2,0,0]=3 569 B8R1.8 CCCC1CCCC1 TS82572 [0,0,0,1,0,0|2,0,0]=3 570 B8R1.8 CCCC1CCCC1 TS82652 [0,0,0,1,0,0|2,0,0]=3 571 B8R1.8 CCOC1CCCO1 TS04591 [0,0,0,1,0,0|2,0,0]=3 572 B8R1.8 CNCC1CCCO1 TS32151 [0,0,0,1,0,0|2,0,0]=3 573 B8R1.8 COCC1CCCN1 TS32164 [0,0,0,1,0,0|3,0,0]=4 574 B8R1.8 COCC1CCCO1 TS04584 [0,0,0,1,0,0|2,0,0]=3 575 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,0,0,1,0,0|3,0,0]=4 576 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,0,0,1,0,0|3,0,0]=4 577 B8R1.10 CCCNC1COC1 TS32160 [0,0,0,1,0,0|3,0,0]=4 578 B8R1.10 CCCOC1CNC1 TS41075 [0,0,0,1,0,0|2,0,0]=3 579 B8R1.11 C1CO[C@@H]([C@H]1O)CO TS32319 [0,0,0,1,0,0|1,0,0]=2 580 B8R1.11 CCC1CCCC1=O TS31928 [0,0,0,1,0,0|1,0,2]=4 581 B8R1.11 CCC1CCCC1C TS67055 [0,0,0,1,0,0|2,0,0]=3 582 B8R1.11 CN1CCCC1CO TS46985 [0,0,0,1,0,0|2,0,0]=3 583 B8R1.11 CN1CCC[C@@H]1CN TS88307 [0,0,0,1,0,0|3,0,0]=4 584 B8R1.11 CN1CCC[C@@H]1CO TS87350 [0,0,0,1,0,0|2,0,0]=3 585 B8R1.11 CN1CCC[C@H]1CN TS91663 [0,0,0,1,0,0|3,0,0]=4 586 B8R1.11 CN1CCC[C@H]1CO TS18151 [0,0,0,1,0,0|2,0,0]=3 587 B8R1.11 CO[C@@H]1CNC[C@H]1F TS92602 [0,0,0,1,0,0|3,0,0]=4 588 B8R1.11 CO[C@@H]1CNC[C@H]1O TS88618 [0,0,0,1,0,0|2,0,0]=3 589 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [0,0,0,1,0,0|2,0,0]=3 590 B8R1.12 C1C[C@H]([C@@H]1CN)CN TS80941 [0,0,0,1,0,0|3,0,0]=4 591 B8R1.22 C1CC(CCNC1)F TS91335 [0,0,0,1,0,0|3,0,0]=4 592 B8R1.22 C1CC(CCNC1)N TS04492 [0,0,0,1,0,0|3,0,0]=4 593 B8R1.22 C1CC(CCNC1)O TS01362 [0,0,0,1,0,0|2,0,0]=3 594 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,1,0,0|2,0,1]=4 595 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,1,0,0|1,0,2]=4 596 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,1,0,0|2,0,0]=3 597 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,1,0,0|2,0,0]=3 598 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,1,0,0|2,0,0]=3 599 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,1,0,0|1,0,0]=2 600 B8R1.22 C1CCCN(CC1)N TS04497 [0,0,0,1,0,0|3,0,0]=4 601 B8R1.22 C1CCNCC(C1)N TS07845 [0,0,0,1,0,0|2,0,0]=3 602 B8R1.22 C1COCC(=O)CO1 TS32190 [0,0,0,1,0,0|1,0,2]=4 603 B8R1.22 C1COCCNC1=O TS04534 [0,0,0,1,0,0|2,0,1]=4 604 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,1,0,0|2,0,1]=4 605 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,1,0,0|2,0,0]=3 606 B8R1.22 CC1OCCCCO1 TS32214 [0,0,0,1,0,0|2,0,0]=3 607 B8R1.22 CN1CCCCCC1 TS32032 [0,0,0,1,0,0|3,0,0]=4 608 B8R1.22 CN1CCCNCC1 TS00463 [0,0,0,1,0,0|3,0,0]=4 609 B8R1.36 C#CCOCC1CO1 TS31906 [0,0,0,1,0,0|2,0,1]=4 610 B8R1.36 C1C(O1)CCCCBr TS33001 [0,0,0,1,0,0|2,0,0]=3 611 B8R1.36 C=CCOCC1CO1 TS04426 [0,0,0,1,0,0|2,0,1]=4 612 B8R1.36 CCCCCC1CO1 TS04480 [0,0,0,1,0,0|1,0,0]=2 613 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [0,0,0,1,0,0|1,0,0]=2 614 B8R1.36 CCCNCC1CC1 TS32029 [0,0,0,1,0,0|2,0,0]=3 615 B8R1.36 CCCOCC1CO1 TS32209 [0,0,0,1,0,0|2,0,0]=3 616 B8R1.49 C1CCCCCCC1 TS04358 [0,0,0,1,0,0|2,0,0]=3 617 B8R1.49 C1CCCNCCC1 TS32033 [0,0,0,1,0,0|2,0,0]=3 618 B8R1.49 C1COCOCCO1 TS04709 [0,0,0,1,0,0|1,0,0]=2 619 B5R0.2 C#CCCCO TS71278 [2,0,0,0,0,0|0,0,2]=4 620 B5R0.2 C(CBr)OCCl TS45688 [2,0,0,0,0,0|2,0,0]=4 621 B5R0.2 C(CCBr)CBr TS07886 [2,0,0,0,0,0|2,0,0]=4 622 B5R0.2 C(CCBr)CCl TS45376 [2,0,0,0,0,0|2,0,0]=4 623 B5R0.2 C(CCBr)CF TS10539 [2,0,0,0,0,0|2,0,0]=4 624 B5R0.2 C(CCBr)CO TS39737 [2,0,0,0,0,0|1,0,0]=3 625 B5R0.2 C(CCCl)CCl TS36204 [2,0,0,0,0,0|2,0,0]=4 626 B5R0.2 C(CCCl)CO TS33155 [2,0,0,0,0,0|1,0,0]=3 627 B5R0.2 C(CCF)CF TS03666 [2,0,0,0,0,0|2,0,0]=4 628 B5R0.2 C(CCF)CO TS03655 [2,0,0,0,0,0|1,0,0]=3 629 B5R0.2 C(CCI)CCl TS49510 [2,0,0,0,0,0|2,0,0]=4 630 B5R0.2 C(CCI)CI TS76368 [2,0,0,0,0,0|2,0,0]=4 631 B5R0.2 C(CCO)CN TS03609 [2,0,0,0,0,0|1,0,0]=3 632 B5R0.2 C(CCO)CO TS00383 [2,0,0,0,0,0|1,0,0]=3 633 B5R0.2 C(CCS)CO TS04107 [2,0,0,0,0,0|1,0,0]=3 634 B5R0.2 C(CCS)CS TS04933 [2,0,0,0,0,0|1,1,0]=4 635 B5R0.2 C(CC[Zn+])CCl TS25983 [2,0,0,0,0,0|2,0,0]=4 636 B5R0.2 C(CCl)OCCl TS36384 [2,0,0,0,0,0|2,0,0]=4 637 B5R0.2 C(CO)NCO TS03642 [2,0,0,0,0,0|2,0,0]=4 638 B5R0.2 C(CON)CS TS93047 [2,0,0,0,0,0|2,0,0]=4 639 B5R0.2 C=CCCCO TS33172 [2,0,0,0,0,0|0,0,2]=4 640 B5R0.2 C=COCCO TS03575 [2,0,0,0,0,0|0,0,2]=4 641 B5R0.2 CC=CCCO TS71749 [2,0,0,0,0,0|0,0,2]=4 642 B5R0.2 CCC#CCC TS71689 [2,0,0,0,0,0|0,0,2]=4 643 B5R0.2 CCC#CCO TS65626 [2,0,0,0,0,0|0,0,2]=4 644 B5R0.2 CCCC#CC TS71682 [2,0,0,0,0,0|0,0,2]=4 645 B5R0.2 CCCC=NO TS03560 [2,0,0,0,0,0|1,0,1]=4 646 B5R0.2 CCCCC#C TS71687 [2,0,0,0,0,0|0,0,2]=4 647 B5R0.2 CCCCC#N TS71704 [2,0,0,0,0,0|1,0,1]=4 648 B5R0.2 CCCCC=C TS71713 [2,0,0,0,0,0|0,0,2]=4 649 B5R0.2 CCCCC=O TS71764 [2,0,0,0,0,0|0,0,2]=4 650 B5R0.2 CCCCCBr TS00039 [2,0,0,0,0,0|1,0,0]=3 651 B5R0.2 CCCCCCl TS31742 [2,0,0,0,0,0|1,0,0]=3 652 B5R0.2 CCCCCF TS71848 [2,0,0,0,0,0|1,0,0]=3 653 B5R0.2 CCCCCI TS18547 [2,0,0,0,0,0|1,0,0]=3 654 B5R0.2 CCCCCN TS71782 [2,0,0,0,0,0|1,0,0]=3 655 B5R0.2 CCCCCO TS46186 [2,0,0,0,0,0|0,0,0]=2 656 B5R0.2 CCCCCO TS71798 [2,0,0,0,0,0|0,0,0]=2 657 B5R0.2 CCCCCS TS31699 [2,0,0,0,0,0|0,1,0]=3 658 B5R0.2 CCCCC[Si] TS03986 [2,0,0,0,0,0|0,1,0]=3 659 B5R0.2 CCCCC[Zn+] TS49168 [2,0,0,0,0,0|1,0,0]=3 660 B5R0.2 CCCCNC TS71774 [2,0,0,0,0,0|1,0,0]=3 661 B5R0.2 CCCCNN TS14187 [2,0,0,0,0,0|2,0,0]=4 662 B5R0.2 CCCCNN TS36035 [2,0,0,0,0,0|2,0,0]=4 663 B5R0.2 CCCCON TS36085 [2,0,0,0,0,0|1,0,0]=3 664 B5R0.2 CCCCON TS93805 [2,0,0,0,0,0|1,0,0]=3 665 B5R0.2 CCCCSC TS31691 [2,0,0,0,0,0|0,1,0]=3 666 B5R0.2 CCCC[Mg]Br TS11455 [2,0,0,0,0,0|2,0,0]=4 667 B5R0.2 CCCC[Mg]Cl TS32260 [2,0,0,0,0,0|2,0,0]=4 668 B5R0.2 CCCC[N+]#[C-] TS71702 [2,0,0,0,0,0|1,0,1]=4 669 B5R0.2 CCCC[Sn]=O TS17583 [2,0,0,0,0,0|1,0,1]=4 670 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,0]=3 671 B5R0.2 CCCOC=C TS29507 [2,0,0,0,0,0|0,0,2]=4 672 B5R0.2 CCCOC=O TS03584 [2,0,0,0,0,0|0,0,2]=4 673 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|0,0,0]=2 674 B5R0.2 CCCOCCl TS04165 [2,0,0,0,0,0|1,0,0]=3 675 B5R0.2 CCCON=O TS71824 [2,0,0,0,0,0|1,0,1]=4 676 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|0,1,0]=3 677 B5R0.2 CCCSSC TS04934 [2,0,0,0,0,0|1,1,0]=4 678 B5R0.2 CCN=NCC TS03539 [2,0,0,0,0,0|2,0,0]=4 679 B5R0.2 CCNCCN TS71809 [2,0,0,0,0,0|2,0,0]=4 680 B5R0.2 CCNCCO TS00085 [2,0,0,0,0,0|1,0,0]=3 681 B5R0.2 CCNNCC TS11360 [2,0,0,0,0,0|2,0,0]=4 682 B5R0.2 CCNNCC TS71806 [2,0,0,0,0,0|2,0,0]=4 683 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|0,0,2]=4 684 B5R0.2 CCOCC=C TS71744 [2,0,0,0,0,0|0,0,2]=4 685 B5R0.2 CCOCCBr TS10269 [2,0,0,0,0,0|1,0,0]=3 686 B5R0.2 CCOCCCl TS04162 [2,0,0,0,0,0|1,0,0]=3 687 B5R0.2 CCOCCO TS71837 [2,0,0,0,0,0|0,0,0]=2 688 B5R0.2 CCSCCBr TS44968 [2,0,0,0,0,0|1,1,0]=4 689 B5R0.2 CCSCCCl TS36036 [2,0,0,0,0,0|1,1,0]=4 690 B5R0.2 CCSCCN TS31712 [2,0,0,0,0,0|1,1,0]=4 691 B5R0.2 CCSCCN TS37539 [2,0,0,0,0,0|1,1,0]=4 692 B5R0.2 CCSCCO TS59769 [2,0,0,0,0,0|0,1,0]=3 693 B5R0.2 CCSSCC TS59782 [2,0,0,0,0,0|1,1,0]=4 694 B5R0.2 CC[Se][Se]CC TS44786 [2,0,0,0,0,0|1,1,0]=4 695 B5R0.2 CNCCCCl TS40140 [2,0,0,0,0,0|2,0,0]=4 696 B5R0.2 CNCCCN TS71808 [2,0,0,0,0,0|2,0,0]=4 697 B5R0.2 CNCCNC TS56355 [2,0,0,0,0,0|2,0,0]=4 698 B5R0.2 CNCCOC TS03607 [2,0,0,0,0,0|1,0,0]=3 699 B5R0.2 COCCC#N TS46471 [2,0,0,0,0,0|1,0,1]=4 700 B5R0.2 COCCCBr TS10272 [2,0,0,0,0,0|1,0,0]=3 701 B5R0.2 COCCCCl TS04163 [2,0,0,0,0,0|1,0,0]=3 702 B5R0.2 COCCCN TS03603 [2,0,0,0,0,0|1,0,0]=3 703 B5R0.2 COCCCO TS70643 [2,0,0,0,0,0|1,0,0]=3 704 B5R0.2 COCCOC TS07877 [2,0,0,0,0,0|1,0,0]=3 705 B5R0.2 COCC[Hg]Cl TS58532 [2,0,0,0,0,0|2,0,0]=4 706 B5R0.2 CSCCCN TS65714 [2,0,0,0,0,0|1,1,0]=4 707 B5R0.2 CSCCCO TS04105 [2,0,0,0,0,0|1,0,0]=3 708 B5R0.2 C[SiH2]CC[SiH2]C TS04760 [2,0,0,0,0,0|0,2,0]=4 709 B7R0.3 C(CC(CN)Cl)CCl TS17567 [1,1,0,0,0,0|2,0,0]=4 710 B7R0.3 C(CC(CO)O)CO TS32424 [1,1,0,0,0,0|1,0,0]=3 711 B7R0.3 CC(CCCN)CN TS04630 [1,1,0,0,0,0|2,0,0]=4 712 B7R0.3 CC(CO)OCC#C TS04443 [1,1,0,0,0,0|0,0,2]=4 713 B7R0.3 CCC#CC(CC)O TS31952 [1,1,0,0,0,0|1,0,1]=4 714 B7R0.3 CCC(=O)NCCO TS32284 [1,1,0,0,0,0|1,0,1]=4 715 B7R0.3 CCC(C)CC=CC TS31972 [1,1,0,0,0,0|1,0,1]=4 716 B7R0.3 CCC(CC#CC)O TS04317 [1,1,0,0,0,0|1,0,1]=4 717 B7R0.3 CCC(CCC=C)O TS32091 [1,1,0,0,0,0|1,0,1]=4 718 B7R0.3 CCC=CC(C)CC TS31968 [1,1,0,0,0,0|1,0,1]=4 719 B7R0.3 CCCCC(=C)CC TS04366 [1,1,0,0,0,0|1,0,0]=3 720 B7R0.3 CCCCC(=CC)C TS04336 [1,1,0,0,0,0|1,0,1]=4 721 B7R0.3 CCCCC(=NO)C TS04540 [1,1,0,0,0,0|1,0,1]=4 722 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|1,0,0]=3 723 B7R0.3 CCCCC(=O)NC TS32169 [1,1,0,0,0,0|2,0,0]=4 724 B7R0.3 CCCCC(=O)OC TS32226 [1,1,0,0,0,0|2,0,0]=4 725 B7R0.3 CCCCC(C#C)O TS31937 [1,1,0,0,0,0|1,0,1]=4 726 B7R0.3 CCCCC(C)CBr TS14345 [1,1,0,0,0,0|1,0,0]=3 727 B7R0.3 CCCCC(C)CC TS32121 [1,1,0,0,0,0|1,0,0]=3 728 B7R0.3 CCCCC(C)CO TS32251 [1,1,0,0,0,0|0,0,0]=2 729 B7R0.3 CCCCC(C=C)O TS04474 [1,1,0,0,0,0|1,0,1]=4 730 B7R0.3 CCCCC(CBr)Br TS85274 [1,1,0,0,0,0|1,0,0]=3 731 B7R0.3 CCCCC(CC)Br TS14340 [1,1,0,0,0,0|1,0,0]=3 732 B7R0.3 CCCCC(CC)N TS04554 [1,1,0,0,0,0|1,0,0]=3 733 B7R0.3 CCCCC(CC)O TS04628 [1,1,0,0,0,0|1,0,0]=3 734 B7R0.3 CCCCC(CCl)Cl TS10545 [1,1,0,0,0,0|1,0,0]=3 735 B7R0.3 CCCCC(CO)N TS32290 [1,1,0,0,0,0|0,0,0]=2 736 B7R0.3 CCCCC(CO)O TS32342 [1,1,0,0,0,0|0,0,0]=2 737 B7R0.3 CCCC[C@@H](CO)N TS32293 [1,1,0,0,0,0|0,0,0]=2 738 B7R0.3 CCCC[C@H](CO)N TS32292 [1,1,0,0,0,0|0,0,0]=2 739 B7R0.3 CCCNC(C)CC TS04555 [1,1,0,0,0,0|2,0,0]=4 740 B7R0.3 CCCOC(=O)CCl TS06137 [1,1,0,0,0,0|1,0,1]=4 741 B7R0.3 CCCOC(=O)CN TS41315 [1,1,0,0,0,0|1,0,1]=4 742 B7R0.3 CCCSC(=O)CC TS05773 [1,1,0,0,0,0|2,0,0]=4 743 B7R0.3 CCOCC(CO)O TS04807 [1,1,0,0,0,0|1,0,0]=3 744 B7R0.3 CCSCC(CO)O TS06111 [1,1,0,0,0,0|1,0,0]=3 745 B7R0.3 CC[C@H](C)CCCO TS04624 [1,1,0,0,0,0|0,0,0]=2 746 B7R0.3 CSCCC(CO)N TS06018 [1,1,0,0,0,0|1,0,0]=3 747 B7R0.3 CSCC[C@@H](CO)N TS07679 [1,1,0,0,0,0|1,0,0]=3 748 B7R0.3 CSCC[C@H](CO)N TS22806 [1,1,0,0,0,0|1,0,0]=3 749 B7R0.3 C[C@H](CO)OCOC TS94527 [1,1,0,0,0,0|1,0,0]=3 750 B7R0.4 B(CCCCC)(O)O TS01615 [1,1,0,0,0,0|1,0,0]=3 751 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,1,0,0,0,0|1,0,1]=4 752 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,1,0,0,0,0|1,0,1]=4 753 B7R0.4 C(CCN)CC(=O)O TS04661 [1,1,0,0,0,0|1,0,1]=4 754 B7R0.4 C(CCN)CC(=O)O TS41314 [1,1,0,0,0,0|1,0,1]=4 755 B7R0.4 C(CCl)OCC(=O)O TS37248 [1,1,0,0,0,0|1,0,1]=4 756 B7R0.4 C(COCC(=O)N)O TS32389 [1,1,0,0,0,0|1,0,1]=4 757 B7R0.4 CC#CCCC(C)C TS31843 [1,1,0,0,0,0|1,0,1]=4 758 B7R0.4 CC(=O)CCCCBr TS47671 [1,1,0,0,0,0|1,0,1]=4 759 B7R0.4 CC(=O)CCCCCl TS05947 [1,1,0,0,0,0|1,0,1]=4 760 B7R0.4 CC(=O)OCCCCl TS06130 [1,1,0,0,0,0|1,0,1]=4 761 B7R0.4 CC(=O)OCCOC TS32328 [1,1,0,0,0,0|1,0,1]=4 762 B7R0.4 CC(C)CCCC=C TS31960 [1,1,0,0,0,0|1,0,1]=4 763 B7R0.4 CC(C)CCCCBr TS14341 [1,1,0,0,0,0|1,0,0]=3 764 B7R0.4 CC(C)CCCCCl TS36890 [1,1,0,0,0,0|1,0,0]=3 765 B7R0.4 CC(C)CCOC=O TS32212 [1,1,0,0,0,0|0,0,2]=4 766 B7R0.4 CC(C)CCON=O TS01922 [1,1,0,0,0,0|1,0,1]=4 767 B7R0.4 CC(C)COCCO TS04743 [1,1,0,0,0,0|0,0,0]=2 768 B7R0.4 CC(C)CSCCO TS36873 [1,1,0,0,0,0|0,1,0]=3 769 B7R0.4 CC(C)NCCCN TS04629 [1,1,0,0,0,0|2,0,0]=4 770 B7R0.4 CC(C)NCCOC TS32291 [1,1,0,0,0,0|2,0,0]=4 771 B7R0.4 CC(C)OCCC#N TS32022 [1,1,0,0,0,0|1,0,1]=4 772 B7R0.4 CC(C)OCCCN TS32297 [1,1,0,0,0,0|1,0,0]=3 773 B7R0.4 CC(CCCCO)O TS04744 [1,1,0,0,0,0|0,0,0]=2 774 B7R0.4 CC(CNCCN)O TS32351 [1,1,0,0,0,0|2,0,0]=4 775 B7R0.4 CC=CCCC(C)C TS31977 [1,1,0,0,0,0|1,0,1]=4 776 B7R0.4 CCC#CCC(C)C TS04215 [1,1,0,0,0,0|1,0,1]=4 777 B7R0.4 CCC#CCC(C)O TS31938 [1,1,0,0,0,0|0,0,2]=4 778 B7R0.4 CCC=CCC(C)C TS04361 [1,1,0,0,0,0|1,0,1]=4 779 B7R0.4 CCCC=CC(C)C TS04365 [1,1,0,0,0,0|1,0,1]=4 780 B7R0.4 CCCCC=C(C)C TS04347 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.4 CCCCCC(=C)C TS04340 [1,1,0,0,0,0|1,0,1]=4 782 B7R0.4 CCCCCC(=O)C TS32098 [1,1,0,0,0,0|0,0,2]=4 783 B7R0.4 CCCCCC(=O)Cl TS05948 [1,1,0,0,0,0|0,0,2]=4 784 B7R0.4 CCCCCC(=O)N TS32152 [1,1,0,0,0,0|0,0,2]=4 785 B7R0.4 CCCCCC(=O)O TS32204 [1,1,0,0,0,0|0,0,1]=3 786 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,1,0,0,0,0|0,0,2]=4 787 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,1,0,0,0,0|0,0,2]=4 788 B7R0.4 CCCCCC(C)Br TS14342 [1,1,0,0,0,0|1,0,0]=3 789 B7R0.4 CCCCCC(C)C TS32120 [1,1,0,0,0,0|1,0,0]=3 790 B7R0.4 CCCCCC(C)Cl TS05959 [1,1,0,0,0,0|1,0,0]=3 791 B7R0.4 CCCCCC(C)N TS04560 [1,1,0,0,0,0|1,0,0]=3 792 B7R0.4 CCCCCC(C)O TS32255 [1,1,0,0,0,0|0,0,0]=2 793 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,1,0,0,0,0|1,0,0]=3 794 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,1,0,0,0,0|0,0,0]=2 795 B7R0.4 CCCCC[C@H](C)N TS04553 [1,1,0,0,0,0|1,0,0]=3 796 B7R0.4 CCCCC[C@H](C)O TS32248 [1,1,0,0,0,0|0,0,0]=2 797 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.4 CCCCNC(=O)C TS32171 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.4 CCCCOC(=O)C TS32218 [1,1,0,0,0,0|0,0,1]=3 800 B7R0.4 CCCCOC(=O)Cl TS16538 [1,1,0,0,0,0|0,0,2]=4 801 B7R0.4 CCCCOC(=O)N TS04660 [1,1,0,0,0,0|0,0,2]=4 802 B7R0.4 CCCCOC(=S)C TS05777 [1,1,0,0,0,0|0,0,1]=3 803 B7R0.4 CCCCOC(Cl)Cl TS10816 [1,1,0,0,0,0|1,0,0]=3 804 B7R0.4 CCCCON(=O)=O TS32384 [1,1,0,0,0,0|1,0,1]=4 805 B7R0.4 CCCCSC(C)C TS05791 [1,1,0,0,0,0|0,1,0]=3 806 B7R0.4 CCCNCC(=O)O TS04670 [1,1,0,0,0,0|1,0,1]=4 807 B7R0.4 CCCOCC(=O)O TS32314 [1,1,0,0,0,0|0,0,1]=3 808 B7R0.4 CCCOCC(C)O TS04740 [1,1,0,0,0,0|0,0,0]=2 809 B7R0.4 CCCSCC(=O)O TS05921 [1,1,0,0,0,0|0,1,1]=4 810 B7R0.4 CCCSCC(C)C TS05789 [1,1,0,0,0,0|1,1,0]=4 811 B7R0.4 CCNCCN(C)C TS04631 [1,1,0,0,0,0|2,0,0]=4 812 B7R0.4 CCOCCC(=O)C TS04589 [1,1,0,0,0,0|0,0,1]=3 813 B7R0.4 CCOCCC(=O)O TS32325 [1,1,0,0,0,0|1,0,1]=4 814 B7R0.4 CCO[SiH2]CN(C)C TS36788 [1,1,0,0,0,0|1,1,0]=4 815 B7R0.4 CCSCCC(C)C TS05793 [1,1,0,0,0,0|0,1,0]=3 816 B7R0.4 CN(C)CCCCN TS32257 [1,1,0,0,0,0|2,0,0]=4 817 B7R0.4 CN(C)CCCCO TS32288 [1,1,0,0,0,0|1,0,0]=3 818 B7R0.4 CNCCCC(=O)O TS41308 [1,1,0,0,0,0|1,0,1]=4 819 B7R0.4 C[C@H](CCCCO)O TS04737 [1,1,0,0,0,0|0,0,0]=2 820 B7R0.7 C(CO)C(=O)CCO TS04717 [1,1,0,0,0,0|1,0,1]=4 821 B7R0.7 C(CS(=O)CCO)O TS06287 [1,1,0,0,0,0|1,1,0]=4 822 B7R0.7 CC(CCBr)CCBr TS27082 [1,1,0,0,0,0|2,0,0]=4 823 B7R0.7 CC(CCI)CCI TS78357 [1,1,0,0,0,0|2,0,0]=4 824 B7R0.7 CC(CCO)CCO TS04739 [1,1,0,0,0,0|1,0,0]=3 825 B7R0.7 CCCC(=CCC)C TS31954 [1,1,0,0,0,0|1,0,1]=4 826 B7R0.7 CCCC(=O)CCC TS32100 [1,1,0,0,0,0|1,0,1]=4 827 B7R0.7 CCCC(=O)OCC TS32219 [1,1,0,0,0,0|0,0,1]=3 828 B7R0.7 CCCC(=O)OCCl TS55810 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.7 CCCC(=S)OCC TS05779 [1,1,0,0,0,0|0,0,1]=3 830 B7R0.7 CCCC(=S)OCC TS07488 [1,1,0,0,0,0|0,0,1]=3 831 B7R0.7 CCCC(C)C=NO TS32167 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.7 CCCC(C)CC=C TS31971 [1,1,0,0,0,0|1,0,1]=4 833 B7R0.7 CCCC(C)CCC TS04512 [1,1,0,0,0,0|1,0,0]=3 834 B7R0.7 CCCC(C)CCO TS32249 [1,1,0,0,0,0|0,0,0]=2 835 B7R0.7 CCCC(C)OCC TS32250 [1,1,0,0,0,0|0,0,0]=2 836 B7R0.7 CCCC(C=CC)O TS04465 [1,1,0,0,0,0|1,0,1]=4 837 B7R0.7 CCCC(CC=C)O TS04466 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.7 CCCC(CCC)Br TS14339 [1,1,0,0,0,0|1,0,0]=3 839 B7R0.7 CCCC(CCC)Cl TS36889 [1,1,0,0,0,0|1,0,0]=3 840 B7R0.7 CCCC(CCC)N TS02992 [1,1,0,0,0,0|1,0,0]=3 841 B7R0.7 CCCC(CCC)O TS04625 [1,1,0,0,0,0|1,0,0]=3 842 B7R0.7 CCCC(CCC)[Zn+] TS62077 [1,1,0,0,0,0|1,0,0]=3 843 B7R0.7 CCCC(CCO)S TS36876 [1,1,0,0,0,0|0,0,0]=2 844 B7R0.7 CCCN(C)CCC TS04549 [1,1,0,0,0,0|2,0,0]=4 845 B7R0.7 CCCS(=O)CCC TS36875 [1,1,0,0,0,0|1,1,0]=4 846 B7R0.7 CCC[C@@H](C)CCO TS32231 [1,1,0,0,0,0|0,0,0]=2 847 B7R0.7 CCNC(=O)OCC TS04671 [1,1,0,0,0,0|1,0,1]=4 848 B7R0.7 CCOC(=C)OCC TS56207 [1,1,0,0,0,0|1,0,1]=4 849 B7R0.7 CCOC(=O)CCBr TS08511 [1,1,0,0,0,0|1,0,1]=4 850 B7R0.7 CCOC(=O)CCCl TS66003 [1,1,0,0,0,0|1,0,1]=4 851 B7R0.7 CCOC(=O)CCI TS56139 [1,1,0,0,0,0|1,0,1]=4 852 B7R0.7 CCOC(=O)CCN TS01886 [1,1,0,0,0,0|1,0,1]=4 853 B7R0.7 CCOC(=O)CCN TS04667 [1,1,0,0,0,0|1,0,1]=4 854 B7R0.7 CCOC(=O)CCS TS05923 [1,1,0,0,0,0|1,0,1]=4 855 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [1,1,0,0,0,0|1,0,1]=4 856 B7R0.7 CCOC(=O)CNC TS01479 [1,1,0,0,0,0|1,0,1]=4 857 B7R0.7 CCOC(=O)COC TS32327 [1,1,0,0,0,0|1,0,1]=4 858 B7R0.7 CCOC(=O)CSC TS05917 [1,1,0,0,0,0|1,0,1]=4 859 B7R0.7 CCOC(=O)OCC TS32315 [1,1,0,0,0,0|1,0,1]=4 860 B7R0.7 CCOC(C)OCC TS04742 [1,1,0,0,0,0|1,0,0]=3 861 B7R0.7 CCOC(OCC)[SiH3] TS36880 [1,1,0,0,0,0|1,0,0]=3 862 B7R0.7 CCOP(C)OCC TS36977 [1,1,0,0,0,0|2,0,0]=4 863 B7R0.7 CCOP(OCC)Cl TS10785 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.7 CCOP([O-])OCC TS01437 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.7 CCOS(=O)OCC TS06288 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.7 CN(CCO)CCO TS04786 [1,1,0,0,0,0|2,0,0]=4 867 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,2,0,0,0,0|2,0,0]=4 868 B9R0.4 CCCCC(C)CC(=O)O TS40195 [0,2,0,0,0,0|1,0,1]=4 869 B9R0.4 CCCCC(CC(=O)O)O TS40420 [0,2,0,0,0,0|1,0,1]=4 870 B9R0.4 CCCCC(CC(C)C)O TS40246 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [0,2,0,0,0,0|1,0,1]=4 872 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [0,2,0,0,0,0|1,0,1]=4 873 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,2,0,0,0,0|1,0,1]=4 874 B9R0.5 CCCCCC(=O)CCC TS06764 [0,2,0,0,0,0|2,0,0]=4 875 B9R0.5 CCCCCC(C)CCC TS37671 [0,2,0,0,0,0|2,0,0]=4 876 B9R0.5 CCCCCC(CC=C)O TS06739 [0,2,0,0,0,0|2,0,0]=4 877 B9R0.5 CCCCCC(CCC)O TS40239 [0,2,0,0,0,0|2,0,0]=4 878 B9R0.5 CCCCOC(=O)CC#N TS06591 [0,2,0,0,0,0|1,0,1]=4 879 B9R0.5 CCCCOC(=O)CCC TS40200 [0,2,0,0,0,0|1,0,0]=3 880 B9R0.5 CCCCOC(=O)CCCl TS11957 [0,2,0,0,0,0|1,0,0]=3 881 B9R0.5 CCCCOC(=O)CCS TS11614 [0,2,0,0,0,0|0,1,0]=3 882 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,2,0,0,0,0|2,0,0]=4 883 B9R0.8 CCCCC(C(C)CC)O TS07019 [0,2,0,0,0,0|2,0,0]=4 884 B9R0.8 CCCCC(C(CO)O)O TS40633 [0,2,0,0,0,0|1,0,0]=3 885 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,2,0,0,0,0|1,0,1]=4 886 B9R0.18 CCCCC(=O)CCCC TS39918 [0,2,0,0,0,0|2,0,0]=4 887 B9R0.18 CCCCC(=O)OCC=C TS37596 [0,2,0,0,0,0|1,0,1]=4 888 B9R0.18 CCCCC(=O)OCCC TS06971 [0,2,0,0,0,0|1,0,0]=3 889 B9R0.18 CCCCC(C)CCCC TS06794 [0,2,0,0,0,0|2,0,0]=4 890 B9R0.18 CCCCC(CCCC)N TS06896 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.18 CCCCC(CCCC)O TS40240 [0,2,0,0,0,0|2,0,0]=4 892 B9R0.18 CCCCN(C)CCCC TS06888 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.18 CCCCN(CCCC)Cl TS11776 [0,2,0,0,0,0|2,0,0]=4 894 B9R0.18 CCCCS(=O)CCCC TS42514 [0,2,0,0,0,0|1,1,0]=4 895 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [0,2,0,0,0,0|2,0,0]=4 896 B9R0.18 CCCC[Sn](=S)CCCC TS30112 [0,2,0,0,0,0|2,0,0]=4 897 B9R0.18 CCCOC(=O)OCCC TS40429 [0,2,0,0,0,0|1,0,1]=4 898 B9R0.18 CCCOP([O-])OCCC TS43022 [0,2,0,0,0,0|2,0,0]=4 899 B9R0.18 CCCOS(=O)OCCC TS12274 [0,2,0,0,0,0|2,0,0]=4 900 B9R0.34 CCCC(C)CC(C)CC TS06787 [0,2,0,0,0,0|2,0,0]=4 901 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,2,0,0,0,0|2,0,0]=4 902 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,2,0,0,0,0|2,0,0]=4 903 B9R0.35 CCCC(C)C(CCC)O TS07017 [0,2,0,0,0,0|2,0,0]=4 904 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,2,0,0,0,0|1,0,1]=4 905 B9R0.48 CN(C)CCN(C)CCO TS40459 [0,2,0,0,0,0|2,0,0]=4 906 B9R0.66 CCCCC(C)(C)CCC TS06784 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.66 CCCCC(C)(CCC)O TS07022 [0,2,0,0,0,0|2,0,0]=4 908 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [0,2,0,0,0,0|1,0,1]=4 909 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [0,2,0,0,0,0|1,0,1]=4 910 B9R0.2 C(CCCN)CCC(=O)O TS48161 [0,2,0,0,0,0|1,0,1]=4 911 B9R0.2 C(CCCN)CCC(=O)O TS59742 [0,2,0,0,0,0|1,0,1]=4 912 B9R0.2 C(CCCO)CCC(=O)O TS55677 [0,2,0,0,0,0|1,0,1]=4 913 B9R0.2 CC(C)CCCCCCBr TS39155 [0,2,0,0,0,0|2,0,0]=4 914 B9R0.2 CC(C)CCCCCCN TS06894 [0,2,0,0,0,0|2,0,0]=4 915 B9R0.2 CC(COCC#CCO)O TS06946 [0,2,0,0,0,0|0,0,2]=4 916 B9R0.2 CCCCC=CCC(=O)O TS37609 [0,2,0,0,0,0|1,0,1]=4 917 B9R0.2 CCCCCCCC(=C)C TS06520 [0,2,0,0,0,0|2,0,0]=4 918 B9R0.2 CCCCCCCC(=O)C TS06758 [0,2,0,0,0,0|1,0,1]=4 919 B9R0.2 CCCCCCCC(=O)Cl TS11637 [0,2,0,0,0,0|1,0,1]=4 920 B9R0.2 CCCCCCCC(=O)N TS40110 [0,2,0,0,0,0|1,0,1]=4 921 B9R0.2 CCCCCCCC(=O)O TS40219 [0,2,0,0,0,0|1,0,0]=3 922 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [0,2,0,0,0,0|1,0,1]=4 923 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [0,2,0,0,0,0|1,0,1]=4 924 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [0,2,0,0,0,0|1,0,1]=4 925 B9R0.2 CCCCCCCC(C)Br TS39158 [0,2,0,0,0,0|2,0,0]=4 926 B9R0.2 CCCCCCCC(C)C TS37672 [0,2,0,0,0,0|2,0,0]=4 927 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [0,2,0,0,0,0|2,0,0]=4 928 B9R0.2 CCCCCCC[C@H](C)N TS06890 [0,2,0,0,0,0|2,0,0]=4 929 B9R0.2 CCCCNCCC(=O)N TS07002 [0,2,0,0,0,0|1,0,1]=4 930 B9R0.2 CCCCNCCC(=O)O TS40320 [0,2,0,0,0,0|1,0,0]=3 931 B9R0.2 CCCNOCCN(C)C TS40458 [0,2,0,0,0,0|2,0,0]=4 932 B9R0.2 CN(C)CCCCCCN TS07034 [0,2,0,0,0,0|2,0,0]=4 933 B9R0.2 CN(C)CCCCCCO TS40334 [0,2,0,0,0,0|1,0,0]=3 934 B9R0.45 C#CCCCCCCCO TS06488 [0,2,0,0,0,0|1,0,0]=3 935 B9R0.45 C(CCCCBr)CCCBr TS74186 [0,2,0,0,0,0|2,0,0]=4 936 B9R0.45 C(CCCCBr)CCCO TS59627 [0,2,0,0,0,0|1,0,0]=3 937 B9R0.45 C(CCCCCl)CCCCl TS48395 [0,2,0,0,0,0|2,0,0]=4 938 B9R0.45 C(CCCCCl)CCCO TS55696 [0,2,0,0,0,0|1,0,0]=3 939 B9R0.45 C(CCCCN)CCCN TS07039 [0,2,0,0,0,0|2,0,0]=4 940 B9R0.45 C(CCCCN)CCCN TS49233 [0,2,0,0,0,0|2,0,0]=4 941 B9R0.45 C(CCCCO)CCCN TS40336 [0,2,0,0,0,0|1,0,0]=3 942 B9R0.45 C(CCCCO)CCCO TS34596 [0,2,0,0,0,0|1,0,0]=3 943 B9R0.45 C(CCCCS)CCCS TS14294 [0,2,0,0,0,0|1,1,0]=4 944 B9R0.45 C(CCNCCCN)CN TS28701 [0,2,0,0,0,0|2,0,0]=4 945 B9R0.45 C(CCNCCCN)CN TS40345 [0,2,0,0,0,0|2,0,0]=4 946 B9R0.45 C(CCNCCCN)CN TS83990 [0,2,0,0,0,0|2,0,0]=4 947 B9R0.45 C(CNCCNCCN)N TS01744 [0,2,0,0,0,0|2,0,0]=4 948 B9R0.45 C(CNCCNCCN)N TS22548 [0,2,0,0,0,0|2,0,0]=4 949 B9R0.45 C(CNCCNCCN)N TS58258 [0,2,0,0,0,0|2,0,0]=4 950 B9R0.45 C(CNCCNCCN)N TS78607 [0,2,0,0,0,0|2,0,0]=4 951 B9R0.45 C(CNCCO)NCCO TS07481 [0,2,0,0,0,0|1,0,0]=3 952 B9R0.45 C(CO)CSSCCCO TS48335 [0,2,0,0,0,0|1,1,0]=4 953 B9R0.45 C(COCCCl)OCCCl TS49025 [0,2,0,0,0,0|1,0,0]=3 954 B9R0.45 C(COCCI)OCCI TS66801 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.45 C(COCCOCCCl)O TS44946 [0,2,0,0,0,0|0,0,0]=2 956 B9R0.45 C(COCCOCCN)N TS46827 [0,2,0,0,0,0|1,0,0]=3 957 B9R0.45 C(COCCOCCO)N TS40739 [0,2,0,0,0,0|0,0,0]=2 958 B9R0.45 C(COCCOCCO)O TS09857 [0,2,0,0,0,0|0,0,0]=2 959 B9R0.45 C(COCCOCCS)O TS12275 [0,2,0,0,0,0|0,0,0]=2 960 B9R0.45 C(COCCS)OCCS TS48336 [0,2,0,0,0,0|0,1,0]=3 961 B9R0.45 C(CSCCSCCO)O TS48337 [0,2,0,0,0,0|0,1,0]=3 962 B9R0.45 C=CCCCCCCCO TS37642 [0,2,0,0,0,0|1,0,0]=3 963 B9R0.45 C=CCOCCOCCO TS40417 [0,2,0,0,0,0|0,0,1]=3 964 B9R0.45 CCC=CCC=CCCO TS06496 [0,2,0,0,0,0|1,0,1]=4 965 B9R0.45 CCC=CCC=CCCO TS06509 [0,2,0,0,0,0|1,0,1]=4 966 B9R0.45 CCC=CCCC=CCO TS06504 [0,2,0,0,0,0|1,0,1]=4 967 B9R0.45 CCC=CCCCCCO TS06747 [0,2,0,0,0,0|1,0,0]=3 968 B9R0.45 CCC=CCCOCC=O TS37602 [0,2,0,0,0,0|0,0,2]=4 969 B9R0.45 CCCCC#CCCC#C TS36858 [0,2,0,0,0,0|2,0,0]=4 970 B9R0.45 CCCCC#CCCCC TS06315 [0,2,0,0,0,0|2,0,0]=4 971 B9R0.45 CCCCC#CCCCCl TS42006 [0,2,0,0,0,0|2,0,0]=4 972 B9R0.45 CCCCC=CC=CCO TS06495 [0,2,0,0,0,0|1,0,1]=4 973 B9R0.45 CCCCC=CCCCC TS06526 [0,2,0,0,0,0|2,0,0]=4 974 B9R0.45 CCCCC=CCCCC TS06534 [0,2,0,0,0,0|2,0,0]=4 975 B9R0.45 CCCCCC#CCCC TS06313 [0,2,0,0,0,0|2,0,0]=4 976 B9R0.45 CCCCCC#CCCO TS06497 [0,2,0,0,0,0|1,0,0]=3 977 B9R0.45 CCCCCC=CCCC TS06525 [0,2,0,0,0,0|2,0,0]=4 978 B9R0.45 CCCCCC=CCCC TS06539 [0,2,0,0,0,0|2,0,0]=4 979 B9R0.45 CCCCCC=CCCO TS06745 [0,2,0,0,0,0|1,0,0]=3 980 B9R0.45 CCCCCCC#CCC TS06319 [0,2,0,0,0,0|2,0,0]=4 981 B9R0.45 CCCCCCC#CCO TS06501 [0,2,0,0,0,0|1,0,0]=3 982 B9R0.45 CCCCCCC=CCC TS06528 [0,2,0,0,0,0|2,0,0]=4 983 B9R0.45 CCCCCCC=CCC TS06538 [0,2,0,0,0,0|2,0,0]=4 984 B9R0.45 CCCCCCC=CCO TS37637 [0,2,0,0,0,0|1,0,0]=3 985 B9R0.45 CCCCCCCC#CC TS06312 [0,2,0,0,0,0|2,0,0]=4 986 B9R0.45 CCCCCCCCC#C TS06311 [0,2,0,0,0,0|2,0,0]=4 987 B9R0.45 CCCCCCCCC=C TS06521 [0,2,0,0,0,0|2,0,0]=4 988 B9R0.45 CCCCCCCCC=O TS06760 [0,2,0,0,0,0|1,0,1]=4 989 B9R0.45 CCCCCCCCCBr TS00421 [0,2,0,0,0,0|2,0,0]=4 990 B9R0.45 CCCCCCCCCC TS37669 [0,2,0,0,0,0|2,0,0]=4 991 B9R0.45 CCCCCCCCCF TS40465 [0,2,0,0,0,0|2,0,0]=4 992 B9R0.45 CCCCCCCCCN TS06895 [0,2,0,0,0,0|2,0,0]=4 993 B9R0.45 CCCCCCCCCO TS07020 [0,2,0,0,0,0|1,0,0]=3 994 B9R0.45 CCCCCCCCCS TS11320 [0,2,0,0,0,0|1,1,0]=4 995 B9R0.45 CCCCCCCCNC TS06887 [0,2,0,0,0,0|2,0,0]=4 996 B9R0.45 CCCCCCCCSC TS11321 [0,2,0,0,0,0|1,1,0]=4 997 B9R0.45 CCCCCCCC[Mg]Br TS22286 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.45 CCCCCCCN=C=O TS37514 [0,2,0,0,0,0|1,0,1]=4 999 B9R0.45 CCCCCCCN=C=S TS10905 [0,2,0,0,0,0|1,1,0]=4 1000 B9R0.45 CCCCCCCNCC TS06892 [0,2,0,0,0,0|2,0,0]=4 1001 B9R0.45 CCCCCCCSC#N TS10903 [0,2,0,0,0,0|1,1,0]=4 1002 B9R0.45 CCCCCCNCCN TS07030 [0,2,0,0,0,0|2,0,0]=4 1003 B9R0.45 CCCCCCNCCO TS40337 [0,2,0,0,0,0|1,0,0]=3 1004 B9R0.45 CCCCCCOCC=C TS06762 [0,2,0,0,0,0|1,0,1]=4 1005 B9R0.45 CCCCCCOCCO TS07250 [0,2,0,0,0,0|0,0,0]=2 1006 B9R0.45 CCCCCCSCCCl TS14704 [0,2,0,0,0,0|1,1,0]=4 1007 B9R0.45 CCCCCCSCCO TS42515 [0,2,0,0,0,0|0,1,0]=3 1008 B9R0.45 CCCCCNCCC#N TS37425 [0,2,0,0,0,0|2,0,0]=4 1009 B9R0.45 CCCCCNCCCC TS06893 [0,2,0,0,0,0|2,0,0]=4 1010 B9R0.45 CCCCNCCCCO TS40341 [0,2,0,0,0,0|1,0,0]=3 1011 B9R0.45 CCCCSSCCCC TS14290 [0,2,0,0,0,0|1,1,0]=4 1012 B9R0.45 CCOCCCCOCC TS07247 [0,2,0,0,0,0|2,0,0]=4 1013 B9R0.45 CCOCCOCCCN TS07368 [0,2,0,0,0,0|1,0,0]=3 1014 B9R0.45 CCOCCOCCOC TS40642 [0,2,0,0,0,0|0,0,0]=2 1015 B9R0.45 CCSCCCCSCC TS14292 [0,2,0,0,0,0|2,0,0]=4 1016 B9R0.45 CNCCCCCCNC TS07026 [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.45 CSCCCCCCSC TS14288 [0,2,0,0,0,0|1,1,0]=4 1018 B9R0.46 C(CCC(CO)O)CCO TS40640 [0,2,0,0,0,0|1,0,0]=3 1019 B9R0.46 C=CCCCCC(CO)O TS06977 [0,2,0,0,0,0|1,0,1]=4 1020 B9R0.46 CCC(C)CCCCC#C TS37234 [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.46 CCCC#CCC(CC)O TS06493 [0,2,0,0,0,0|1,0,1]=4 1022 B9R0.46 CCCCCCC(=O)CC TS06757 [0,2,0,0,0,0|2,0,0]=4 1023 B9R0.46 CCCCCCC(=O)OC TS06976 [0,2,0,0,0,0|1,0,1]=4 1024 B9R0.46 CCCCCCC(C)C=O TS02438 [0,2,0,0,0,0|1,0,1]=4 1025 B9R0.46 CCCCCCC(C)CBr TS39157 [0,2,0,0,0,0|2,0,0]=4 1026 B9R0.46 CCCCCCC(C)CC TS37670 [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.46 CCCCCCC(C=C)O TS06738 [0,2,0,0,0,0|1,0,0]=3 1028 B9R0.46 CCCCCCC(CC)O TS40234 [0,2,0,0,0,0|1,0,0]=3 1029 B9R0.46 CCCCCCC(CCl)Cl TS48396 [0,2,0,0,0,0|2,0,0]=4 1030 B9R0.46 CCCCCCC(CO)O TS07249 [0,2,0,0,0,0|1,0,0]=3 1031 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [0,2,0,0,0,0|1,0,0]=3 1032 B9R0.46 CCCCCC[C@H](CF)O TS07486 [0,2,0,0,0,0|1,0,0]=3 1033 B9R0.46 CCCCCC[C@H](CO)O TS07254 [0,2,0,0,0,0|1,0,0]=3 1034 B9R0.46 CCCCCOC(=O)CC TS06970 [0,2,0,0,0,0|1,0,1]=4 1035 B9R0.46 CCCCCOC(=O)CN TS48166 [0,2,0,0,0,0|1,0,1]=4 1036 B9R0.46 CCOCCOC(=O)CCl TS65037 [0,2,0,0,0,0|1,0,1]=4 1037 B9R0.46 CC[C@H](C)CCCCCO TS40233 [0,2,0,0,0,0|1,0,0]=3 1038 B9R0.46 COC(=O)CCCCCO TS40427 [0,2,0,0,0,0|1,0,1]=4 1039 B9R0.1 CC(C)CCOC(=O)CS TS11612 [0,2,0,0,0,0|0,1,1]=4 1040 B9R0.1 CCC(=O)OCCC(C)C TS06990 [0,2,0,0,0,0|1,0,1]=4 1041 B9R0.1 CCC(C)CCCC(C)C TS06782 [0,2,0,0,0,0|2,0,0]=4 1042 B9R0.1 CCC(C)OCCC(=O)C TS06972 [0,2,0,0,0,0|1,0,1]=4 1043 B9R0.20 CCCCCC(C)(C)CC TS06785 [0,2,0,0,0,0|2,0,0]=4 1044 B9R0.20 CCCCCC(C)(CC)Cl TS11638 [0,2,0,0,0,0|2,0,0]=4 1045 B9R0.20 CCCCCC(C)(CC)O TS40235 [0,2,0,0,0,0|2,0,0]=4 1046 B9R0.24 CC(CO)OCC(C)OC TS40643 [0,2,0,0,0,0|1,0,0]=3 1047 B9R0.24 CCC(C)CCC(C)CC TS06791 [0,2,0,0,0,0|2,0,0]=4 1048 B9R0.24 CCC(C)COC(=O)CC TS40204 [0,2,0,0,0,0|1,0,1]=4 1049 B9R0.24 CC[C@@H](CC[C@H](CC)O)O TS07260 [0,2,0,0,0,0|2,0,0]=4 1050 B9R0.24 CC[C@H](CC[C@@H](CC)O)O TS07245 [0,2,0,0,0,0|2,0,0]=4 1051 B9R0.47 CCCCCC(C(=O)O)Br TS20690 [0,2,0,0,0,0|1,0,1]=4 1052 B9R0.47 CCCCCC(C(=O)O)N TS07110 [0,2,0,0,0,0|1,0,1]=4 1053 B9R0.47 CCCCCC(C(C)C)O TS40248 [0,2,0,0,0,0|2,0,0]=4 1054 B9R0.47 CCCCCC(C)C(=O)O TS40214 [0,2,0,0,0,0|1,0,1]=4 1055 B9R0.47 CCCCCC(C)C(C)C TS06796 [0,2,0,0,0,0|2,0,0]=4 1056 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,2,0,0,0,0|1,0,1]=4 1057 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,2,0,0,0,0|1,0,1]=4 1058 B9R0.47 CCCCOC(=O)C(F)Cl TS44945 [0,2,0,0,0,0|1,0,1]=4 1059 B9R0.47 CCCCOC(=O)C(F)F TS41099 [0,2,0,0,0,0|1,0,1]=4 1060 B9R0.50 C(CCN)CC(CO)CO TS07365 [0,2,0,0,0,0|2,0,0]=4 1061 B9R0.50 CCCCCC(CC)CC TS06786 [0,2,0,0,0,0|2,0,0]=4 1062 B9R0.50 CCCCCC(CO)CO TS07257 [0,2,0,0,0,0|1,0,0]=3 1063 B9R0.50 CCN(CCCCO)N=O TS07237 [0,2,0,0,0,0|2,0,0]=4 1064 B9R0.38 CC(C)(C)CCCCCO TS40238 [0,2,0,0,0,0|1,0,0]=3 1065 B9R0.38 CCCCCCC(C)(C)Cl TS11639 [0,2,0,0,0,0|2,0,0]=4 1066 B9R0.38 CCCCCCC(C)(C)O TS40249 [0,2,0,0,0,0|1,0,0]=3 1067 B9R0.38 CCCCCCC(C)(C)S TS11319 [0,2,0,0,0,0|1,1,0]=4 1068 B9R0.38 CCCCCCP(=O)(O)O TS43019 [0,2,0,0,0,0|2,0,0]=4 1069 B9R0.55 CC(C)CCCCC(=O)O TS65177 [0,2,0,0,0,0|1,0,1]=4 1070 B9R0.55 CC(C)CCCCC(C)C TS37668 [0,2,0,0,0,0|2,0,0]=4 1071 B9R0.55 CC(C)COCCC(=O)C TS06991 [0,2,0,0,0,0|1,0,1]=4 1072 B7R1.1 C#CC1CCCC1 TS03680 [1,0,0,1,0,0|1,0,1]=4 1073 B7R1.1 C#CC1CCCC1 TS43724 [1,0,0,1,0,0|1,0,1]=4 1074 B7R1.1 C#CC1CCOC1 TS90205 [1,0,0,1,0,0|0,0,2]=4 1075 B7R1.1 C1C(OCO1)CO TS31671 [1,0,0,1,0,0|1,0,0]=3 1076 B7R1.1 C1C=CCC1CO TS03780 [1,0,0,1,0,0|0,0,2]=4 1077 B7R1.1 C1CC(NC1)CN TS08246 [1,0,0,1,0,0|2,0,0]=4 1078 B7R1.1 C1CC(OC1)C=O TS16819 [1,0,0,1,0,0|0,0,2]=4 1079 B7R1.1 C1CC(OC1)CBr TS42845 [1,0,0,1,0,0|1,0,0]=3 1080 B7R1.1 C1CC(OC1)CCl TS32449 [1,0,0,1,0,0|1,0,0]=3 1081 B7R1.1 C1CC(OC1)CN TS39685 [1,0,0,1,0,0|1,0,0]=3 1082 B7R1.1 C1CC(OC1)CO TS59435 [1,0,0,1,0,0|0,0,0]=2 1083 B7R1.1 C1CCC(C1)C#N TS03699 [1,0,0,1,0,0|1,0,1]=4 1084 B7R1.1 C1CCC(C1)C=O TS55823 [1,0,0,1,0,0|0,0,2]=4 1085 B7R1.1 C1CCC(C1)CBr TS16535 [1,0,0,1,0,0|1,0,0]=3 1086 B7R1.1 C1CCC(C1)CO TS31527 [1,0,0,1,0,0|0,0,0]=2 1087 B7R1.1 C1CCC(C1)CO TS44787 [1,0,0,1,0,0|0,0,0]=2 1088 B7R1.1 C1CCC(C1)NN TS55828 [1,0,0,1,0,0|2,0,0]=4 1089 B7R1.1 C1CCC(C1)[Mg]Br TS45683 [1,0,0,1,0,0|2,0,0]=4 1090 B7R1.1 C1CCN(C1)CI TS43938 [1,0,0,1,0,0|2,0,0]=4 1091 B7R1.1 C1CNCC1CO TS01674 [1,0,0,1,0,0|1,0,0]=3 1092 B7R1.1 C1CNCC1CO TS90843 [1,0,0,1,0,0|1,0,0]=3 1093 B7R1.1 C1CNC[C@@H]1CO TS86165 [1,0,0,1,0,0|1,0,0]=3 1094 B7R1.1 C1CNC[C@@H]1CO TS87755 [1,0,0,1,0,0|1,0,0]=3 1095 B7R1.1 C1CNC[C@H]1CO TS90835 [1,0,0,1,0,0|1,0,0]=3 1096 B7R1.1 C1CNC[C@H]1CO TS91204 [1,0,0,1,0,0|1,0,0]=3 1097 B7R1.1 C1COC(O1)CBr TS12331 [1,0,0,1,0,0|1,0,0]=3 1098 B7R1.1 C1COC(O1)CCl TS04942 [1,0,0,1,0,0|1,0,0]=3 1099 B7R1.1 C1COCC1C#N TS31394 [1,0,0,1,0,0|1,0,1]=4 1100 B7R1.1 C1COCC1C=O TS85084 [1,0,0,1,0,0|1,0,1]=4 1101 B7R1.1 C1COCC1CBr TS42850 [1,0,0,1,0,0|1,0,0]=3 1102 B7R1.1 C1COCC1CCl TS32453 [1,0,0,1,0,0|1,0,0]=3 1103 B7R1.1 C1COCC1CI TS21229 [1,0,0,1,0,0|1,0,0]=3 1104 B7R1.1 C1COCC1CN TS37140 [1,0,0,1,0,0|1,0,0]=3 1105 B7R1.1 C1COCC1CO TS90635 [1,0,0,1,0,0|1,0,0]=3 1106 B7R1.1 C1COCC1NN TS13628 [1,0,0,1,0,0|2,0,0]=4 1107 B7R1.1 C1COC[C@@H]1C#N TS87940 [1,0,0,1,0,0|1,0,1]=4 1108 B7R1.1 C1COC[C@@H]1CN TS86866 [1,0,0,1,0,0|1,0,0]=3 1109 B7R1.1 C1COC[C@@H]1CO TS90533 [1,0,0,1,0,0|1,0,0]=3 1110 B7R1.1 C1COC[C@H]1C#N TS85881 [1,0,0,1,0,0|1,0,1]=4 1111 B7R1.1 C1COC[C@H]1CN TS87555 [1,0,0,1,0,0|1,0,0]=3 1112 B7R1.1 C1COC[C@H]1CO TS91740 [1,0,0,1,0,0|1,0,0]=3 1113 B7R1.1 C1C[C@@H](NC1)CO TS55885 [1,0,0,1,0,0|1,0,0]=3 1114 B7R1.1 C1C[C@@H](OC1)CN TS08645 [1,0,0,1,0,0|1,0,0]=3 1115 B7R1.1 C1C[C@H](NC1)CF TS37317 [1,0,0,1,0,0|2,0,0]=4 1116 B7R1.1 C1C[C@H](NC1)CF TS86985 [1,0,0,1,0,0|2,0,0]=4 1117 B7R1.1 C1C[C@H](NC1)CN TS03869 [1,0,0,1,0,0|2,0,0]=4 1118 B7R1.1 C1C[C@H](NC1)CN TS86369 [1,0,0,1,0,0|2,0,0]=4 1119 B7R1.1 C1C[C@H](NC1)CO TS46675 [1,0,0,1,0,0|1,0,0]=3 1120 B7R1.1 C1C[C@H](NC1)CO TS90617 [1,0,0,1,0,0|1,0,0]=3 1121 B7R1.1 C1C[C@H](OC1)CN TS07684 [1,0,0,1,0,0|1,0,0]=3 1122 B7R1.1 C1C[C@H](OC1)CO TS03948 [1,0,0,1,0,0|0,0,0]=2 1123 B7R1.1 C=CC1CCCC1 TS44110 [1,0,0,1,0,0|1,0,1]=4 1124 B7R1.1 C=CC1OCCO1 TS03848 [1,0,0,1,0,0|0,0,2]=4 1125 B7R1.1 CC=C1CCCC1 TS03729 [1,0,0,1,0,0|1,0,1]=4 1126 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|1,0,1]=4 1127 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,1,0,0|1,0,1]=4 1128 B7R1.1 CCC1CCC=C1 TS03720 [1,0,0,1,0,0|1,0,1]=4 1129 B7R1.1 CCC1CCCC1 TS21020 [1,0,0,1,0,0|1,0,0]=3 1130 B7R1.1 CCC1CCCC1 TS21612 [1,0,0,1,0,0|1,0,0]=3 1131 B7R1.1 CCC1CCCC1 TS35071 [1,0,0,1,0,0|1,0,0]=3 1132 B7R1.1 CCC1CCCC1 TS57108 [1,0,0,1,0,0|1,0,0]=3 1133 B7R1.1 CCC1CCCC1 TS57519 [1,0,0,1,0,0|1,0,0]=3 1134 B7R1.1 CCC1CCCC1 TS62096 [1,0,0,1,0,0|1,0,0]=3 1135 B7R1.1 CCC1CCCC1 TS70230 [1,0,0,1,0,0|1,0,0]=3 1136 B7R1.1 CCC1CCCC1 TS70344 [1,0,0,1,0,0|1,0,0]=3 1137 B7R1.1 CCC1CCCC1 TS75798 [1,0,0,1,0,0|1,0,0]=3 1138 B7R1.1 CCC1CCCC1 TS78923 [1,0,0,1,0,0|1,0,0]=3 1139 B7R1.1 CCC1CCCC1 TS80049 [1,0,0,1,0,0|1,0,0]=3 1140 B7R1.1 CCC1OCCO1 TS03937 [1,0,0,1,0,0|0,0,0]=2 1141 B7R1.1 CCN1CCCC1 TS03828 [1,0,0,1,0,0|1,0,0]=3 1142 B7R1.1 CNC1CCNC1 TS03875 [1,0,0,1,0,0|2,0,0]=4 1143 B7R1.1 CNC1CCOC1 TS87367 [1,0,0,1,0,0|1,0,0]=3 1144 B7R1.1 CN[C@@H]1CCNC1 TS03876 [1,0,0,1,0,0|2,0,0]=4 1145 B7R1.1 CN[C@@H]1CCOC1 TS90607 [1,0,0,1,0,0|1,0,0]=3 1146 B7R1.1 CN[C@H]1CCOC1 TS85956 [1,0,0,1,0,0|1,0,0]=3 1147 B7R1.1 COC1CCCC1 TS03863 [1,0,0,1,0,0|2,0,0]=4 1148 B7R1.1 COC1CCNC1 TS02829 [1,0,0,1,0,0|2,0,0]=4 1149 B7R1.1 COC1CCNC1 TS90836 [1,0,0,1,0,0|2,0,0]=4 1150 B7R1.1 COC1OCCO1 TS31667 [1,0,0,1,0,0|1,0,0]=3 1151 B7R1.1 CO[C@@H]1CCNC1 TS88166 [1,0,0,1,0,0|2,0,0]=4 1152 B7R1.1 CO[C@@H]1CCNC1 TS89625 [1,0,0,1,0,0|2,0,0]=4 1153 B7R1.1 CO[C@H]1CCNC1 TS85697 [1,0,0,1,0,0|2,0,0]=4 1154 B7R1.1 CSC1CCCC1 TS04638 [1,0,0,1,0,0|2,0,0]=4 1155 B7R1.1 [C-]#[N+]C1CCCC1 TS03697 [1,0,0,1,0,0|2,0,0]=4 1156 B7R1.3 C1C(COCO1)O TS31668 [1,0,0,1,0,0|1,0,0]=3 1157 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|0,0,2]=4 1158 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|0,0,2]=4 1159 B7R1.3 C1CC(CC=C1)O TS31422 [1,0,0,1,0,0|0,0,2]=4 1160 B7R1.3 C1CC(CNC1)Br TS09491 [1,0,0,1,0,0|2,0,0]=4 1161 B7R1.3 C1CC(CNC1)Br TS42661 [1,0,0,1,0,0|2,0,0]=4 1162 B7R1.3 C1CC(CNC1)Cl TS41570 [1,0,0,1,0,0|2,0,0]=4 1163 B7R1.3 C1CC(CNC1)F TS37316 [1,0,0,1,0,0|2,0,0]=4 1164 B7R1.3 C1CC(CNC1)N TS02666 [1,0,0,1,0,0|2,0,0]=4 1165 B7R1.3 C1CC(CNC1)O TS02796 [1,0,0,1,0,0|1,0,0]=3 1166 B7R1.3 C1CC(CNC1)O TS16254 [1,0,0,1,0,0|1,0,0]=3 1167 B7R1.3 C1CC(CNC1)O TS28091 [1,0,0,1,0,0|1,0,0]=3 1168 B7R1.3 C1CC(CNC1)S TS91720 [1,0,0,1,0,0|1,1,0]=4 1169 B7R1.3 C1CC(COC1)Br TS42847 [1,0,0,1,0,0|1,0,0]=3 1170 B7R1.3 C1CC(COC1)I TS44102 [1,0,0,1,0,0|1,0,0]=3 1171 B7R1.3 C1CC(COC1)N TS39962 [1,0,0,1,0,0|1,0,0]=3 1172 B7R1.3 C1CC(COC1)N TS90719 [1,0,0,1,0,0|1,0,0]=3 1173 B7R1.3 C1CC(COC1)O TS59831 [1,0,0,1,0,0|0,0,0]=2 1174 B7R1.3 C1CC=CC(C1)O TS59964 [1,0,0,1,0,0|0,0,2]=4 1175 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|0,0,2]=4 1176 B7R1.3 C1CCC(CC1)Br TS33231 [1,0,0,1,0,0|1,0,0]=3 1177 B7R1.3 C1CCC(CC1)Cl TS39830 [1,0,0,1,0,0|1,0,0]=3 1178 B7R1.3 C1CCC(CC1)F TS31606 [1,0,0,1,0,0|1,0,0]=3 1179 B7R1.3 C1CCC(CC1)I TS43723 [1,0,0,1,0,0|1,0,0]=3 1180 B7R1.3 C1CCC(CC1)N TS03833 [1,0,0,1,0,0|1,0,0]=3 1181 B7R1.3 C1CCC(CC1)N TS06026 [1,0,0,1,0,0|1,0,0]=3 1182 B7R1.3 C1CCC(CC1)N TS14508 [1,0,0,1,0,0|1,0,0]=3 1183 B7R1.3 C1CCC(CC1)N TS18426 [1,0,0,1,0,0|1,0,0]=3 1184 B7R1.3 C1CCC(CC1)O TS31506 [1,0,0,1,0,0|0,0,0]=2 1185 B7R1.3 C1CCC(CC1)P TS04576 [1,0,0,1,0,0|1,0,0]=3 1186 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [1,0,0,1,0,0|1,0,0]=3 1187 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [1,0,0,1,0,0|1,0,0]=3 1188 B7R1.3 C1CCN(CC1)N TS03873 [1,0,0,1,0,0|2,0,0]=4 1189 B7R1.3 C1CCN(CC1)N TS06144 [1,0,0,1,0,0|2,0,0]=4 1190 B7R1.3 C1CCN(CC1)O TS31559 [1,0,0,1,0,0|1,0,0]=3 1191 B7R1.3 C1CCNC(C1)Br TS42662 [1,0,0,1,0,0|2,0,0]=4 1192 B7R1.3 C1CCNC(C1)Cl TS04802 [1,0,0,1,0,0|2,0,0]=4 1193 B7R1.3 C1CCNC(C1)N TS03877 [1,0,0,1,0,0|2,0,0]=4 1194 B7R1.3 C1CCNC(C1)O TS03900 [1,0,0,1,0,0|1,0,0]=3 1195 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|0,0,2]=4 1196 B7R1.3 C1CCOC(C1)O TS31590 [1,0,0,1,0,0|0,0,0]=2 1197 B7R1.3 C1CNCCC1Br TS71009 [1,0,0,1,0,0|2,0,0]=4 1198 B7R1.3 C1CNCCC1Cl TS09688 [1,0,0,1,0,0|2,0,0]=4 1199 B7R1.3 C1CNCCC1F TS03995 [1,0,0,1,0,0|2,0,0]=4 1200 B7R1.3 C1CNCCC1F TS09127 [1,0,0,1,0,0|2,0,0]=4 1201 B7R1.3 C1CNCCC1N TS08873 [1,0,0,1,0,0|2,0,0]=4 1202 B7R1.3 C1CNCCC1N TS70915 [1,0,0,1,0,0|2,0,0]=4 1203 B7R1.3 C1CNCCC1O TS37141 [1,0,0,1,0,0|1,0,0]=3 1204 B7R1.3 C1CNCCC1O TS71282 [1,0,0,1,0,0|1,0,0]=3 1205 B7R1.3 C1CNCCC1S TS89665 [1,0,0,1,0,0|1,1,0]=4 1206 B7R1.3 C1COC(=O)CO1 TS31576 [1,0,0,1,0,0|1,0,1]=4 1207 B7R1.3 C1COCCC1=O TS59431 [1,0,0,1,0,0|1,0,1]=4 1208 B7R1.3 C1COCCC1Br TS09616 [1,0,0,1,0,0|1,0,0]=3 1209 B7R1.3 C1COCCC1Cl TS32447 [1,0,0,1,0,0|1,0,0]=3 1210 B7R1.3 C1COCCC1I TS09723 [1,0,0,1,0,0|1,0,0]=3 1211 B7R1.3 C1COCCC1N TS11397 [1,0,0,1,0,0|1,0,0]=3 1212 B7R1.3 C1COCCC1N TS70925 [1,0,0,1,0,0|1,0,0]=3 1213 B7R1.3 C1COCCC1N TS70926 [1,0,0,1,0,0|1,0,0]=3 1214 B7R1.3 C1COCCC1O TS59433 [1,0,0,1,0,0|1,0,0]=3 1215 B7R1.3 C1COCCC1O TS85905 [1,0,0,1,0,0|1,0,0]=3 1216 B7R1.3 C1COCCN1N TS31603 [1,0,0,1,0,0|2,0,0]=4 1217 B7R1.3 C1COCCN1N TS37255 [1,0,0,1,0,0|2,0,0]=4 1218 B7R1.3 C1CSCCC1N TS59442 [1,0,0,1,0,0|1,1,0]=4 1219 B7R1.3 C1CSCCC1O TS59441 [1,0,0,1,0,0|1,0,0]=3 1220 B7R1.3 C1C[C@@H](CNC1)F TS89045 [1,0,0,1,0,0|2,0,0]=4 1221 B7R1.3 C1C[C@@H](CNC1)N TS03872 [1,0,0,1,0,0|2,0,0]=4 1222 B7R1.3 C1C[C@@H](CNC1)O TS46664 [1,0,0,1,0,0|1,0,0]=3 1223 B7R1.3 C1C[C@H](CNC1)F TS92720 [1,0,0,1,0,0|2,0,0]=4 1224 B7R1.3 C1C[C@H](CNC1)N TS93699 [1,0,0,1,0,0|2,0,0]=4 1225 B7R1.3 C1C[C@H](CNC1)O TS88232 [1,0,0,1,0,0|1,0,0]=3 1226 B7R1.3 C1C[C@H](CNC1)O TS89282 [1,0,0,1,0,0|1,0,0]=3 1227 B7R1.3 CC1CCCCC1 TS02317 [1,0,0,1,0,0|1,0,0]=3 1228 B7R1.3 CC1CCCCO1 TS31512 [1,0,0,1,0,0|0,0,0]=2 1229 B7R1.3 CC1CCCNC1 TS70672 [1,0,0,1,0,0|2,0,0]=4 1230 B7R1.3 CC1CCNCC1 TS03831 [1,0,0,1,0,0|1,0,0]=3 1231 B7R1.3 CC1CCOCO1 TS03947 [1,0,0,1,0,0|0,0,0]=2 1232 B7R1.3 CC1CNCCO1 TS02170 [1,0,0,1,0,0|1,0,0]=3 1233 B7R1.3 CC1SCCCS1 TS16705 [1,0,0,1,0,0|1,1,0]=4 1234 B7R1.3 CN1CCCCC1 TS03834 [1,0,0,1,0,0|2,0,0]=4 1235 B7R1.3 CN1CCNCC1 TS00495 [1,0,0,1,0,0|2,0,0]=4 1236 B7R1.3 CN1CCNCC1 TS45581 [1,0,0,1,0,0|2,0,0]=4 1237 B7R1.3 CN1CCOCC1 TS37142 [1,0,0,1,0,0|1,0,0]=3 1238 B7R1.3 CN1CCOCC1 TS39917 [1,0,0,1,0,0|1,0,0]=3 1239 B7R1.3 C[C@@H]1CCCCN1 TS03835 [1,0,0,1,0,0|1,0,0]=3 1240 B7R1.3 C[C@@H]1CNCCN1 TS08073 [1,0,0,1,0,0|2,0,0]=4 1241 B7R1.3 C[C@@H]1CNCCO1 TS03899 [1,0,0,1,0,0|1,0,0]=3 1242 B7R1.3 C[C@@H]1CNCCO1 TS08072 [1,0,0,1,0,0|1,0,0]=3 1243 B7R1.3 C[C@@H]1COCCN1 TS01972 [1,0,0,1,0,0|1,0,0]=3 1244 B7R1.3 C[C@H]1CNCCN1 TS06145 [1,0,0,1,0,0|2,0,0]=4 1245 B7R1.3 C[C@H]1CNCCN1 TS22969 [1,0,0,1,0,0|2,0,0]=4 1246 B7R1.3 C[C@H]1CNCCN1 TS45580 [1,0,0,1,0,0|2,0,0]=4 1247 B7R1.3 C[C@H]1CNCCO1 TS89643 [1,0,0,1,0,0|1,0,0]=3 1248 B7R1.3 C[C@H]1COCCN1 TS46666 [1,0,0,1,0,0|1,0,0]=3 1249 B7R1.4 C1CC(C(C1)Cl)Cl TS06337 [1,0,0,1,0,0|2,0,0]=4 1250 B7R1.4 C1CC(C(C1)O)N TS03905 [1,0,0,1,0,0|1,0,0]=3 1251 B7R1.4 C1COC(C1Br)Br TS52914 [1,0,0,1,0,0|2,0,0]=4 1252 B7R1.4 C1COC(C1Cl)Cl TS37466 [1,0,0,1,0,0|2,0,0]=4 1253 B7R1.4 C1C[C@@H]([C@H](C1)O)N TS59451 [1,0,0,1,0,0|1,0,0]=3 1254 B7R1.4 C1C[C@@H]([C@H](C1)O)O TS03951 [1,0,0,1,0,0|1,0,0]=3 1255 B7R1.4 C1C[C@H]([C@@H](C1)Cl)Cl TS06338 [1,0,0,1,0,0|2,0,0]=4 1256 B7R1.4 C1C[C@H]([C@@H](C1)O)N TS94575 [1,0,0,1,0,0|1,0,0]=3 1257 B7R1.4 C1C[C@H]([C@@H](C1)O)O TS03935 [1,0,0,1,0,0|1,0,0]=3 1258 B7R1.4 C1C[C@H]([C@H](C1)O)N TS55819 [1,0,0,1,0,0|1,0,0]=3 1259 B7R1.4 C1C[C@H]([C@H](C1)O)O TS03956 [1,0,0,1,0,0|1,0,0]=3 1260 B7R1.4 C1[C@@H]([C@H](CN1)O)O TS87014 [1,0,0,1,0,0|2,0,0]=4 1261 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92585 [1,0,0,1,0,0|2,0,0]=4 1262 B7R1.4 C1[C@@H]([C@H](CO1)N)N TS92586 [1,0,0,1,0,0|2,0,0]=4 1263 B7R1.4 C1[C@@H]([C@H](CO1)O)O TS31674 [1,0,0,1,0,0|1,0,0]=3 1264 B7R1.4 C1[C@H]([C@@H](CN1)F)O TS92108 [1,0,0,1,0,0|2,0,0]=4 1265 B7R1.4 C1[C@H]([C@@H](CN1)O)O TS89590 [1,0,0,1,0,0|2,0,0]=4 1266 B7R1.4 C1[C@H]([C@@H](CO1)N)N TS87919 [1,0,0,1,0,0|2,0,0]=4 1267 B7R1.4 C1[C@H]([C@H](CN1)O)O TS91803 [1,0,0,1,0,0|2,0,0]=4 1268 B7R1.4 C1[C@H]([C@H](CO1)N)N TS87566 [1,0,0,1,0,0|2,0,0]=4 1269 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|1,0,1]=4 1270 B7R1.4 CC1C(CCO1)S TS32361 [1,0,0,1,0,0|1,0,0]=3 1271 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|1,0,1]=4 1272 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|0,0,2]=4 1273 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,0,0,1,0,0|1,0,0]=3 1274 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,0,0,1,0,0|1,0,0]=3 1275 B7R1.5 CC1C(O1)CC#N TS31392 [1,0,0,1,0,0|1,0,1]=4 1276 B7R1.6 C1C(CO1)CCO TS86834 [1,0,0,1,0,0|1,0,0]=3 1277 B7R1.6 C1CC(C1)CCN TS88922 [1,0,0,1,0,0|1,0,0]=3 1278 B7R1.6 C1CN(C1)CCCl TS92407 [1,0,0,1,0,0|2,0,0]=4 1279 B7R1.6 CCNC1COC1 TS86473 [1,0,0,1,0,0|2,0,0]=4 1280 B7R1.6 CCOC1CNC1 TS37143 [1,0,0,1,0,0|1,0,0]=3 1281 B7R1.6 COCC1CCN1 TS92247 [1,0,0,1,0,0|2,0,0]=4 1282 B7R1.6 COC[C@@H]1CCN1 TS92216 [1,0,0,1,0,0|2,0,0]=4 1283 B7R1.6 COC[C@H]1CCN1 TS90071 [1,0,0,1,0,0|2,0,0]=4 1284 B7R1.7 C1CC1OCCCl TS46506 [1,0,0,1,0,0|1,0,0]=3 1285 B7R1.7 CCCCC1CO1 TS31525 [1,0,0,1,0,0|0,0,0]=2 1286 B7R1.7 CCCC[C@@H]1CO1 TS31508 [1,0,0,1,0,0|0,0,0]=2 1287 B7R1.7 CCOCC1CO1 TS03943 [1,0,0,1,0,0|1,0,0]=3 1288 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|1,0,1]=4 1289 B7R1.8 CN1CCC1CN TS92300 [1,0,0,1,0,0|2,0,0]=4 1290 B7R1.8 CN1CC[C@@H]1CN TS91985 [1,0,0,1,0,0|2,0,0]=4 1291 B7R1.8 CN1CC[C@H]1CN TS92777 [1,0,0,1,0,0|2,0,0]=4 1292 B7R1.24 C1C=CCOCO1 TS03849 [1,0,0,1,0,0|0,0,2]=4 1293 B7R1.24 C1CCC=CCC1 TS31384 [1,0,0,1,0,0|1,0,1]=4 1294 B7R1.24 C1CCCCCC1 TS03793 [1,0,0,1,0,0|1,0,0]=3 1295 B7R1.24 C1CCCNCC1 TS39804 [1,0,0,1,0,0|1,0,0]=3 1296 B7R1.24 C1CCCOCC1 TS31519 [1,0,0,1,0,0|0,0,0]=2 1297 B7R1.24 C1CCCSCC1 TS04639 [1,0,0,1,0,0|0,1,0]=3 1298 B7R1.24 C1CCOCOC1 TS03952 [1,0,0,1,0,0|0,0,0]=2 1299 B7R1.24 C1CCSCSC1 TS36881 [1,0,0,1,0,0|0,2,0]=4 1300 B7R1.24 C1CNCCNC1 TS08536 [1,0,0,1,0,0|2,0,0]=4 1301 B7R1.24 C1CNCCOC1 TS02067 [1,0,0,1,0,0|1,0,0]=3 1302 B9R1.2 C1CC(CC(C1)N)CN TS36364 [0,1,0,1,0,0|2,0,0]=4 1303 B9R1.2 CCC1CCCC(C1)C TS36177 [0,1,0,1,0,0|2,0,0]=4 1304 B9R1.2 CCN1CCCC(C1)O TS05480 [0,1,0,1,0,0|2,0,0]=4 1305 B9R1.2 CC[C@H]1CCC[C@H](C1)C TS05224 [0,1,0,1,0,0|2,0,0]=4 1306 B9R1.2 CN1CCCC(C1)CO TS36419 [0,1,0,1,0,0|2,0,0]=4 1307 B9R1.2 CN1CCOC(C1)CO TS05661 [0,1,0,1,0,0|1,0,0]=3 1308 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,1,0,1,0,0|1,0,1]=4 1309 B9R1.7 CCCC1OCC(O1)C TS05559 [0,1,0,1,0,0|0,0,0]=2 1310 B9R1.7 CN1CCC(C1)CCO TS90139 [0,1,0,1,0,0|2,0,0]=4 1311 B9R1.8 C#CCC1CCCCC1 TS32527 [0,1,0,1,0,0|2,0,0]=4 1312 B9R1.8 C1CC(CNC1)CCN TS19166 [0,1,0,1,0,0|2,0,0]=4 1313 B9R1.8 C1CC(CNC1)CCO TS32945 [0,1,0,1,0,0|1,0,0]=3 1314 B9R1.8 C1CCC(=CC1)CCN TS05119 [0,1,0,1,0,0|2,0,0]=4 1315 B9R1.8 C1CCC(CC1)CC#N TS34561 [0,1,0,1,0,0|2,0,0]=4 1316 B9R1.8 C1CCC(CC1)CCBr TS17234 [0,1,0,1,0,0|2,0,0]=4 1317 B9R1.8 C1CCC(CC1)CCN TS11778 [0,1,0,1,0,0|2,0,0]=4 1318 B9R1.8 C1CCC(CC1)CCN TS36254 [0,1,0,1,0,0|2,0,0]=4 1319 B9R1.8 C1CCC(CC1)CNN TS11969 [0,1,0,1,0,0|2,0,0]=4 1320 B9R1.8 C1CCC(CC1)CNN TS36365 [0,1,0,1,0,0|2,0,0]=4 1321 B9R1.8 C1CCC(CC1)CON TS05475 [0,1,0,1,0,0|1,0,0]=3 1322 B9R1.8 C1CCN(CC1)CCCl TS07395 [0,1,0,1,0,0|2,0,0]=4 1323 B9R1.8 C1CCN(CC1)CCCl TS15231 [0,1,0,1,0,0|2,0,0]=4 1324 B9R1.8 C1CCN(CC1)CCN TS22816 [0,1,0,1,0,0|2,0,0]=4 1325 B9R1.8 C1CCN(CC1)CCO TS05482 [0,1,0,1,0,0|1,0,0]=3 1326 B9R1.8 C1CCNC(C1)CCCl TS15228 [0,1,0,1,0,0|2,0,0]=4 1327 B9R1.8 C1CCNC(C1)CCN TS19169 [0,1,0,1,0,0|2,0,0]=4 1328 B9R1.8 C1CCNC(C1)CCO TS02459 [0,1,0,1,0,0|1,0,0]=3 1329 B9R1.8 C1CCOC(C1)CCN TS05479 [0,1,0,1,0,0|1,0,0]=3 1330 B9R1.8 C1CN(CCN1)CCN TS36436 [0,1,0,1,0,0|2,0,0]=4 1331 B9R1.8 C1CN(CCN1)CCO TS56335 [0,1,0,1,0,0|1,0,0]=3 1332 B9R1.8 C1CNCCC1CCO TS71281 [0,1,0,1,0,0|1,0,0]=3 1333 B9R1.8 C1CN[C@H](CN1)CCO TS19527 [0,1,0,1,0,0|2,0,0]=4 1334 B9R1.8 C1COC(OC1)CCBr TS17995 [0,1,0,1,0,0|1,0,0]=3 1335 B9R1.8 C1COCCC1CCBr TS70729 [0,1,0,1,0,0|2,0,0]=4 1336 B9R1.8 C1COCCC1CCN TS09523 [0,1,0,1,0,0|2,0,0]=4 1337 B9R1.8 C1COCCC1CCN TS12114 [0,1,0,1,0,0|2,0,0]=4 1338 B9R1.8 C1COCCC1CCO TS60058 [0,1,0,1,0,0|1,0,0]=3 1339 B9R1.8 C1COCCN1CCCl TS48837 [0,1,0,1,0,0|2,0,0]=4 1340 B9R1.8 C1COCCN1CCCl TS70732 [0,1,0,1,0,0|2,0,0]=4 1341 B9R1.8 C1COCCN1CCN TS05571 [0,1,0,1,0,0|2,0,0]=4 1342 B9R1.8 C1COCCN1CCO TS36591 [0,1,0,1,0,0|1,0,0]=3 1343 B9R1.8 C1CSCCN1CCN TS40468 [0,1,0,1,0,0|2,0,0]=4 1344 B9R1.8 C1CSCCN1CCO TS23011 [0,1,0,1,0,0|1,0,0]=3 1345 B9R1.8 C=CCC1CCCCC1 TS05041 [0,1,0,1,0,0|2,0,0]=4 1346 B9R1.8 C=CCC1CCCCC1 TS15012 [0,1,0,1,0,0|2,0,0]=4 1347 B9R1.8 CCCC1CCCCC1 TS36184 [0,1,0,1,0,0|2,0,0]=4 1348 B9R1.8 CCCC1CCCCN1 TS02180 [0,1,0,1,0,0|2,0,0]=4 1349 B9R1.8 CCCC1CCCCN1 TS11779 [0,1,0,1,0,0|2,0,0]=4 1350 B9R1.8 CCCC1CCCCO1 TS05388 [0,1,0,1,0,0|1,0,0]=3 1351 B9R1.8 CCCC1CCNCC1 TS11777 [0,1,0,1,0,0|2,0,0]=4 1352 B9R1.8 CCCC1CCNCC1 TS36258 [0,1,0,1,0,0|2,0,0]=4 1353 B9R1.8 CCCN1CCNCC1 TS59318 [0,1,0,1,0,0|2,0,0]=4 1354 B9R1.8 CCNC1CCCCC1 TS36260 [0,1,0,1,0,0|2,0,0]=4 1355 B9R1.8 CNCC1CCCCO1 TS36422 [0,1,0,1,0,0|1,0,0]=3 1356 B9R1.8 CNCC1CNCCO1 TS36521 [0,1,0,1,0,0|1,0,0]=3 1357 B9R1.8 CNCC1COCCO1 TS05656 [0,1,0,1,0,0|0,0,0]=2 1358 B9R1.8 COCC1CCNCC1 TS05477 [0,1,0,1,0,0|2,0,0]=4 1359 B9R1.8 COCC1CCNCC1 TS87684 [0,1,0,1,0,0|2,0,0]=4 1360 B9R1.8 COC[C@@H]1CCCCN1 TS85176 [0,1,0,1,0,0|1,0,0]=3 1361 B9R1.12 C1CCN(C1)CCC#N TS36014 [0,1,0,1,0,0|2,0,0]=4 1362 B9R1.12 C1CCN(C1)CCCBr TS51408 [0,1,0,1,0,0|2,0,0]=4 1363 B9R1.12 C1CCN(C1)CCCBr TS74306 [0,1,0,1,0,0|2,0,0]=4 1364 B9R1.12 C1CCN(C1)CCCCl TS08154 [0,1,0,1,0,0|2,0,0]=4 1365 B9R1.12 C1CCN(C1)CCCCl TS15230 [0,1,0,1,0,0|2,0,0]=4 1366 B9R1.12 C1CCN(C1)CCCN TS36353 [0,1,0,1,0,0|2,0,0]=4 1367 B9R1.12 C1CCN(C1)CCCO TS36426 [0,1,0,1,0,0|1,0,0]=3 1368 B9R1.12 C1COC(O1)CCCCl TS09964 [0,1,0,1,0,0|0,0,0]=2 1369 B9R1.12 CCCCC1=CCCC1 TS05061 [0,1,0,1,0,0|2,0,0]=4 1370 B9R1.12 CCCCC1CCCC1 TS36178 [0,1,0,1,0,0|2,0,0]=4 1371 B9R1.12 CCCCC1CCCC1 TS61460 [0,1,0,1,0,0|2,0,0]=4 1372 B9R1.12 CCCCC1CCCC1 TS66426 [0,1,0,1,0,0|2,0,0]=4 1373 B9R1.12 CCCCC1CCCC1 TS71915 [0,1,0,1,0,0|2,0,0]=4 1374 B9R1.12 CCCCC1CCCC1 TS81233 [0,1,0,1,0,0|2,0,0]=4 1375 B9R1.12 CCCCC1CCCC1 TS81832 [0,1,0,1,0,0|2,0,0]=4 1376 B9R1.12 CCCCC1CCCC1 TS83585 [0,1,0,1,0,0|2,0,0]=4 1377 B9R1.12 CCCCN1CCCC1 TS00426 [0,1,0,1,0,0|2,0,0]=4 1378 B9R1.12 CCOCC1CCCO1 TS36503 [0,1,0,1,0,0|1,0,0]=3 1379 B9R1.12 CNCCC1OCCO1 TS05654 [0,1,0,1,0,0|0,0,0]=2 1380 B9R1.12 [C-]#[N+]CCN1CCCC1 TS36018 [0,1,0,1,0,0|2,0,0]=4 1381 B9R1.15 C1CCC(C(C1)CN)N TS05401 [0,1,0,1,0,0|2,0,0]=4 1382 B9R1.15 C1CC[C@H]([C@@H](C1)CN)O TS59456 [0,1,0,1,0,0|1,0,0]=3 1383 B9R1.15 C1CC[C@H]([C@@H](C1)CO)N TS12117 [0,1,0,1,0,0|1,0,0]=3 1384 B9R1.15 C1CC[C@H]([C@H](C1)CN)O TS12116 [0,1,0,1,0,0|1,0,0]=3 1385 B9R1.15 C1CC[C@H]([C@H](C1)CO)N TS12118 [0,1,0,1,0,0|1,0,0]=3 1386 B9R1.15 C1CNC[C@@H]([C@@H]1CN)O TS92768 [0,1,0,1,0,0|1,0,0]=3 1387 B9R1.15 C1CNC[C@@H]([C@@H]1CO)O TS92509 [0,1,0,1,0,0|1,0,0]=3 1388 B9R1.15 C1CNC[C@@H]([C@H]1CO)O TS92800 [0,1,0,1,0,0|1,0,0]=3 1389 B9R1.15 C1CNC[C@H]([C@@H]1CN)O TS92155 [0,1,0,1,0,0|1,0,0]=3 1390 B9R1.15 CC1CC=CCC1CO TS05187 [0,1,0,1,0,0|1,0,1]=4 1391 B9R1.15 CC[C@@H]1CCCC[C@@H]1C TS05230 [0,1,0,1,0,0|2,0,0]=4 1392 B9R1.15 CC[C@@H]1CCCC[C@H]1C TS05214 [0,1,0,1,0,0|2,0,0]=4 1393 B9R1.15 CN1CCCCC1CN TS05403 [0,1,0,1,0,0|2,0,0]=4 1394 B9R1.15 CN1CCCCC1CO TS46982 [0,1,0,1,0,0|1,0,0]=3 1395 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94624 [0,1,0,1,0,0|1,0,0]=3 1396 B9R1.15 CN[C@@H]1CCCC[C@H]1O TS94625 [0,1,0,1,0,0|1,0,0]=3 1397 B9R1.15 COC1COCCC1=O TS87427 [0,1,0,1,0,0|1,0,1]=4 1398 B9R1.15 CO[C@@H]1CNCC[C@@H]1N TS36523 [0,1,0,1,0,0|2,0,0]=4 1399 B9R1.15 CO[C@@H]1COCC[C@@H]1N TS88723 [0,1,0,1,0,0|1,0,0]=3 1400 B9R1.15 CO[C@@H]1COCC[C@H]1N TS87211 [0,1,0,1,0,0|1,0,0]=3 1401 B9R1.15 CO[C@H]1CCCC[C@@H]1O TS05565 [0,1,0,1,0,0|1,0,0]=3 1402 B9R1.22 CN1C[C@@H](C[C@H]1CO)O TS12448 [0,1,0,1,0,0|2,0,0]=4 1403 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [0,1,0,1,0,0|1,0,1]=4 1404 B9R1.33 CN1CCCC1CCCl TS16660 [0,1,0,1,0,0|2,0,0]=4 1405 B9R1.33 CN1CCCC1CCN TS39234 [0,1,0,1,0,0|2,0,0]=4 1406 B9R1.33 CN1CCCC1CCO TS16652 [0,1,0,1,0,0|1,0,0]=3 1407 B9R1.33 CN1CCC[C@@H]1CCN TS91267 [0,1,0,1,0,0|2,0,0]=4 1408 B9R1.33 CN1CCC[C@H]1CCN TS90742 [0,1,0,1,0,0|2,0,0]=4 1409 B9R1.49 CN1CCCC(CC1)O TS36433 [0,1,0,1,0,0|2,0,0]=4 1410 B9R1.50 C1CCCC(CCC1)Br TS17235 [0,1,0,1,0,0|2,0,0]=4 1411 B9R1.50 CC1=CCCCCCC1 TS05043 [0,1,0,1,0,0|2,0,0]=4 1412 B9R1.50 CC1CCCCCC=C1 TS05055 [0,1,0,1,0,0|2,0,0]=4 1413 B9R1.50 CC1CCCCCCC1 TS05222 [0,1,0,1,0,0|2,0,0]=4 1414 B9R1.69 CC1CCC(=O)CC1C TS36162 [0,1,0,1,0,0|2,0,0]=4 1415 B9R1.69 CC1CCC(C(C1)C)C TS05216 [0,1,0,1,0,0|2,0,0]=4 1416 B9R1.69 CC1CCC(C(C1)C)O TS05396 [0,1,0,1,0,0|1,0,0]=3 1417 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [0,1,0,1,0,0|2,0,0]=4 1418 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [0,1,0,1,0,0|2,0,0]=4 1419 B9R1.100 CCCCC(C)C1CC1 TS36180 [0,1,0,1,0,0|2,0,0]=4 1420 B9R1.134 CC1(OCCO1)CCBr TS51951 [0,1,0,1,0,0|1,0,0]=3 1421 B9R1.134 CCCC1(CCCC1)O TS36336 [0,1,0,1,0,0|2,0,0]=4 1422 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [0,1,0,1,0,0|1,0,0]=3 1423 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [0,1,0,1,0,0|1,0,0]=3 1424 B9R1.14 C1[C@@H]([C@@H](CN1)CO)CO TS36588 [0,1,0,1,0,0|2,0,0]=4 1425 B9R1.14 CCN1CCCC1CN TS87964 [0,1,0,1,0,0|2,0,0]=4 1426 B9R1.14 CCN1CCC[C@@H]1CN TS46580 [0,1,0,1,0,0|2,0,0]=4 1427 B9R1.14 CC[C@@H]1CCC[C@H]1CC TS05207 [0,1,0,1,0,0|2,0,0]=4 1428 B9R1.83 C=CCCCCC1CO1 TS36159 [0,1,0,1,0,0|1,0,1]=4 1429 B9R1.83 CCCCCCC1CO1 TS05397 [0,1,0,1,0,0|1,0,0]=3 1430 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [0,1,0,1,0,0|1,0,0]=3 1431 B9R1.83 CCCCOCC1CO1 TS36506 [0,1,0,1,0,0|0,0,0]=2 1432 B9R1.89 C1CCCC(=NO)CC1 TS05273 [0,1,0,1,0,0|1,0,1]=4 1433 B9R1.89 C1CCCC(CC1)C#N TS04981 [0,1,0,1,0,0|2,0,0]=4 1434 B9R1.89 C1CCCC(CC1)C=O TS05193 [0,1,0,1,0,0|1,0,1]=4 1435 B9R1.89 C1CCCC(CC1)CI TS26149 [0,1,0,1,0,0|2,0,0]=4 1436 B9R1.89 C1CCCC(CC1)CN TS01403 [0,1,0,1,0,0|2,0,0]=4 1437 B9R1.89 C1CCCC(CC1)CO TS05384 [0,1,0,1,0,0|1,0,0]=3 1438 B9R1.89 C1CCCC(CC1)NN TS11968 [0,1,0,1,0,0|2,0,0]=4 1439 B9R1.89 CNC1CCCCNC1 TS36352 [0,1,0,1,0,0|2,0,0]=4 1440 B9R1.89 COC1CCCNCC1 TS87163 [0,1,0,1,0,0|2,0,0]=4 1441 B9R1.103 C1CNCCNCCN1 TS36437 [0,1,0,1,0,0|2,0,0]=4 1442 B9R1.103 C1CSCCSCCS1 TS47986 [0,1,0,1,0,0|0,2,0]=4 1443 B9R1.1 C1CC(CCC1CN)N TS36359 [0,1,0,1,0,0|2,0,0]=4 1444 B9R1.1 C1[C@@H](CC[C@@H](C1)N)CO TS89377 [0,1,0,1,0,0|1,0,0]=3 1445 B9R1.1 C1[C@@H](CC[C@H](C1)N)CO TS86753 [0,1,0,1,0,0|1,0,0]=3 1446 B9R1.1 C=C1CCC(CC1)CO TS05200 [0,1,0,1,0,0|1,0,1]=4 1447 B9R1.1 CC1CCC(CC1)CO TS05372 [0,1,0,1,0,0|1,0,0]=3 1448 B9R1.1 CCC1CCC(CC1)C TS05205 [0,1,0,1,0,0|2,0,0]=4 1449 B9R1.1 CCC1CCC(CC1)N TS36256 [0,1,0,1,0,0|2,0,0]=4 1450 B9R1.1 CCC1CCC(CC1)O TS36345 [0,1,0,1,0,0|2,0,0]=4 1451 B9R1.1 CC[C@H]1CC[C@@H](CC1)C TS05211 [0,1,0,1,0,0|2,0,0]=4 1452 B9R1.1 CC[C@H]1CC[C@@H](CC1)N TS36255 [0,1,0,1,0,0|2,0,0]=4 1453 B9R1.1 CC[C@H]1CC[C@@H](CC1)O TS05390 [0,1,0,1,0,0|2,0,0]=4 1454 B9R1.1 CC[C@H]1CC[C@H](CC1)C TS05225 [0,1,0,1,0,0|2,0,0]=4 1455 B9R1.1 CC[C@H]1CC[C@H](CC1)O TS36326 [0,1,0,1,0,0|2,0,0]=4 1456 B9R1.1 CN1CCC(CC1)CO TS00484 [0,1,0,1,0,0|2,0,0]=4 1457 B9R1.1 C[C@@H]1CC[C@H](CN1)CO TS89788 [0,1,0,1,0,0|2,0,0]=4 1458 B9R1.3 C1CC(C(C(C1)O)O)O TS05715 [0,1,0,1,0,0|2,0,0]=4 1459 B9R1.3 C1[C@H]([C@@H]([C@H](CN1)O)O)O TS05819 [0,1,0,1,0,0|2,0,0]=4 1460 B9R1.3 CC1CCCC(C1C)C TS05217 [0,1,0,1,0,0|2,0,0]=4 1461 B9R1.3 CC1CCCC(C1N)C TS05287 [0,1,0,1,0,0|2,0,0]=4 1462 B9R1.11 CC(CN)N1CCCC1 TS36360 [0,1,0,1,0,0|2,0,0]=4 1463 B9R1.21 C1CC(OC1CO)CO TS05735 [0,1,0,1,0,0|2,0,0]=4 1464 B9R1.21 C1C[C@H](O[C@H]1CO)CO TS05711 [0,1,0,1,0,0|2,0,0]=4 1465 B9R1.21 CCC1CCC(O1)CC TS36341 [0,1,0,1,0,0|2,0,0]=4 1466 B9R1.118 C1CC(CNC1)(CO)O TS92891 [0,1,0,1,0,0|2,0,0]=4 1467 B9R1.118 C1CCC(CC1)(CN)O TS05481 [0,1,0,1,0,0|2,0,0]=4 1468 B9R1.118 C1CCC(CC1)(CN)O TS12115 [0,1,0,1,0,0|2,0,0]=4 1469 B9R1.118 C1CCC(CC1)(CO)N TS12112 [0,1,0,1,0,0|1,0,0]=3 1470 B9R1.118 C1CCC(CC1)(CO)O TS05566 [0,1,0,1,0,0|1,0,0]=3 1471 B9R1.118 C1CNCCC1(CO)F TS90147 [0,1,0,1,0,0|2,0,0]=4 1472 B9R1.118 C1CNCCC1(CO)O TS90105 [0,1,0,1,0,0|2,0,0]=4 1473 B9R1.118 C1COCCC1(CO)F TS88298 [0,1,0,1,0,0|2,0,0]=4 1474 B9R1.118 C1COCCC1(CO)N TS89915 [0,1,0,1,0,0|2,0,0]=4 1475 B9R1.118 CC1(CCCNC1)CO TS87954 [0,1,0,1,0,0|2,0,0]=4 1476 B9R1.118 CC1(CCCNC1)CO TS90382 [0,1,0,1,0,0|2,0,0]=4 1477 B9R1.118 CC1(CCNCC1)CO TS90423 [0,1,0,1,0,0|2,0,0]=4 1478 B9R1.118 CC1(CCOCC1)CO TS90932 [0,1,0,1,0,0|2,0,0]=4 1479 B9R1.118 CCC1(CCCCC1)C TS05220 [0,1,0,1,0,0|2,0,0]=4 1480 B9R1.118 CCC1(CCCCC1)O TS77179 [0,1,0,1,0,0|2,0,0]=4 1481 B9R1.6 B(C1CCCCC1)(O)O TS85497 [0,1,0,1,0,0|2,0,0]=4 1482 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,1,0,1,0,0|1,0,1]=4 1483 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,1,0,1,0,0|1,0,1]=4 1484 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,1,0,1,0,0|1,0,1]=4 1485 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,1,0,1,0,0|1,0,1]=4 1486 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,1,0,1,0,0|1,0,1]=4 1487 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,1,0,1,0,0|1,0,1]=4 1488 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,1,0,1,0,0|1,0,1]=4 1489 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,1,0,1,0,0|0,0,1]=3 1490 B9R1.6 C1COC(CN1)C(=O)O TS56326 [0,1,0,1,0,0|1,0,1]=4 1491 B9R1.6 C1COC(CO1)C(=O)O TS36638 [0,1,0,1,0,0|1,0,1]=4 1492 B9R1.6 C1CO[C@@H](CN1)C(=O)O TS00324 [0,1,0,1,0,0|1,0,1]=4 1493 B9R1.6 CC(C)C1CNCCN1 TS19165 [0,1,0,1,0,0|2,0,0]=4 1494 B9R1.6 CC(C)[C@@H]1CNCCN1 TS19167 [0,1,0,1,0,0|2,0,0]=4 1495 B9R1.6 CC(C)[C@H]1CNCCN1 TS36350 [0,1,0,1,0,0|2,0,0]=4 1496 B9R1.6 CC(C1CCCCC1)O TS36346 [0,1,0,1,0,0|1,0,0]=3 1497 B9R1.6 C[C@@H](C1CCCCC1)N TS36257 [0,1,0,1,0,0|2,0,0]=4 1498 B9R1.6 C[C@H](C1CCCCC1)N TS36259 [0,1,0,1,0,0|2,0,0]=4 1499 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [0,1,0,1,0,0|1,0,1]=4 1500 B9R1.13 CC(C)CC1CCCC1 TS05219 [0,1,0,1,0,0|2,0,0]=4 1501 B9R1.13 CC(C)CC1CCCC1 TS81235 [0,1,0,1,0,0|2,0,0]=4 1502 B9R1.13 CC(CN1CCCC1)N TS36355 [0,1,0,1,0,0|2,0,0]=4 1503 B9R1.40 CC1(CNCCC1O)C TS87076 [0,1,0,1,0,0|2,0,0]=4 1504 B9R1.40 CC1CCCCC1(C)C TS05231 [0,1,0,1,0,0|2,0,0]=4 1505 B9R1.40 CC1CCNCC1(F)F TS88370 [0,1,0,1,0,0|2,0,0]=4 1506 B9R1.41 CN(C)C1COCC1O TS36602 [0,1,0,1,0,0|1,0,0]=3 1507 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [0,1,0,1,0,0|1,0,1]=4 1508 B9R1.148 CC1(CCCCCC1)O TS05376 [0,1,0,1,0,0|1,0,0]=3 1509 B9R1.148 CC1(CCCNCC1)O TS91736 [0,1,0,1,0,0|2,0,0]=4 1510 B9R2.49 C1CC2CCC1CC2 TS04220 [0,0,0,2,0,0|2,0,0]=4 1511 B9R2.49 C1CC2CCC1CN2 TS92202 [0,0,0,2,0,0|2,0,0]=4 1512 B9R2.49 C1CC2COC1CN2 TS92395 [0,0,0,2,0,0|1,0,0]=3 1513 B9R2.50 C1CC2C(CN2)NC1 TS89797 [0,0,0,2,0,0|2,0,0]=4 1514 B9R2.50 C1CN2C1CNCC2 TS90575 [0,0,0,2,0,0|2,0,0]=4 1515 B9R2.53 C1C2CNCC1C2O TS89822 [0,0,0,2,0,0|2,0,0]=4 1516 B9R2.53 C1C2CNCC1C2O TS92105 [0,0,0,2,0,0|2,0,0]=4 1517 B9R2.56 C1C2C1(CNC2)CO TS92082 [0,0,0,2,0,0|2,0,0]=4 1518 B9R2.65 C1[C@@H]2[C@@H]([C@H]2CO)CN1 TS32018 [0,0,0,2,0,0|2,0,0]=4 1519 B9R2.68 C1CC2CCC(C1)N2 TS86792 [0,0,0,2,0,0|2,0,0]=4 1520 B9R2.68 C1CC2CNCC1O2 TS01870 [0,0,0,2,0,0|1,0,0]=3 1521 B9R2.68 C1CC2CNCC1O2 TS92827 [0,0,0,2,0,0|1,0,0]=3 1522 B9R2.68 C1CC2COCC1N2 TS85846 [0,0,0,2,0,0|1,0,0]=3 1523 B9R2.68 C1CN2CCNC1C2 TS92204 [0,0,0,2,0,0|2,0,0]=4 1524 B9R2.68 C1CN2CCN[C@@H]1C2 TS91456 [0,0,0,2,0,0|2,0,0]=4 1525 B9R2.68 C1CN2CCN[C@H]1C2 TS91976 [0,0,0,2,0,0|2,0,0]=4 1526 B9R2.70 C1[C@H]2[C@@H]1[C@H](NC2)CO TS86407 [0,0,0,2,0,0|1,0,0]=3 1527 B9R2.174 C1CC12CNCCN2 TS86270 [0,0,0,2,0,0|2,0,0]=4 1528 B9R2.174 C1CC12CNCCN2 TS91413 [0,0,0,2,0,0|2,0,0]=4 1529 B9R2.174 C1CCC2(CC1)CC2 TS04222 [0,0,0,2,0,0|2,0,0]=4 1530 B9R2.174 C1CCC2(CC1)CO2 TS31948 [0,0,0,2,0,0|1,0,0]=3 1531 B9R2.6 CC12CCNCC1C2 TS89095 [0,0,0,2,0,0|2,0,0]=4 1532 B9R2.39 C1CC2CC1CC2O TS31924 [0,0,0,2,0,0|1,0,0]=3 1533 B9R2.39 C1C[C@@H]2C[C@H]1C[C@@H]2O TS31950 [0,0,0,2,0,0|1,0,0]=3 1534 B9R2.39 C1C[C@@H]2C[C@H]1C[C@H]2O TS31931 [0,0,0,2,0,0|1,0,0]=3 1535 B9R2.39 C1C[C@@H]2[C@@H](C[C@H]1N2)O TS92147 [0,0,0,2,0,0|2,0,0]=4 1536 B9R2.39 C1C[C@@H]2[C@H](C[C@H]1N2)O TS91802 [0,0,0,2,0,0|2,0,0]=4 1537 B9R2.39 C1C[C@H]2C[C@@H]1CC2Cl TS36573 [0,0,0,2,0,0|2,0,0]=4 1538 B9R2.39 C1C[C@H]2C[C@@H]1C[C@@H]2Br TS13629 [0,0,0,2,0,0|2,0,0]=4 1539 B9R2.39 C1C[C@H]2C[C@@H]1C[C@H]2O TS31927 [0,0,0,2,0,0|1,0,0]=3 1540 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,2,0,0|0,0,2]=4 1541 B9R2.3 C1CC2CCCC2C1 TS04223 [0,0,0,2,0,0|2,0,0]=4 1542 B9R2.3 C1CC2CNCC2C1 TS59333 [0,0,0,2,0,0|2,0,0]=4 1543 B9R2.3 C1COC2C1CNC2 TS89020 [0,0,0,2,0,0|1,0,0]=3 1544 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 TS87054 [0,0,0,2,0,0|2,0,0]=4 1545 B9R2.173 C1CC2(C1)CCCN2 TS86401 [0,0,0,2,0,0|2,0,0]=4 1546 B9R2.173 C1CC2(CNC2)OC1 TS87587 [0,0,0,2,0,0|2,0,0]=4 1547 B9R2.173 C1CCC2(C1)CCN2 TS86155 [0,0,0,2,0,0|2,0,0]=4 1548 B9R2.173 C1CNCC12CCO2 TS87184 [0,0,0,2,0,0|2,0,0]=4 1549 B9R2.173 C1CNCC12CCO2 TS92634 [0,0,0,2,0,0|2,0,0]=4 1550 B9R2.52 C1CCC2C(O2)CC1 TS31946 [0,0,0,2,0,0|1,0,0]=3 1551 B9R2.5 C1CC12CNC[C@H]2N TS85986 [0,0,0,2,0,0|2,0,0]=4