0 B8R0.7 B(C=CCCCC)(O)O TS05299 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.7 B(CCCCCC)(O)O TS32717 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.7 C#CCCCCC(=O)O TS05162 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.7 C(CCC(=O)N)CCBr TS17766 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.7 C(CCC(=O)N)CCN TS93750 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.7 C(CCC(=O)O)CCBr TS55559 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.7 C(CCC(=O)O)CCCl TS09966 [0,0,0,0,0,0|2,0,1]=3 9 B8R0.7 C(CCC(=O)O)CCN TS33197 [0,0,0,0,0,0|2,0,1]=3 10 B8R0.7 C(CCC(=O)O)CCN TS94650 [0,0,0,0,0,0|2,0,1]=3 11 B8R0.7 C(CCC(=O)O)CCO TS55607 [0,0,0,0,0,0|2,0,1]=3 12 B8R0.7 C(CCON)CC(=O)O TS44444 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.7 C=CCCCCC(=O)O TS36303 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.7 CC(=O)NCCCCN TS43167 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.7 CC(=O)OCCCCBr TS17993 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.7 CC(=O)OCCCCI TS26787 [0,0,0,0,0,0|2,0,2]=4 17 B8R0.7 CC(=O)OCCCSC TS07491 [0,0,0,0,0,0|2,0,2]=4 18 B8R0.7 CC(C)CCCCCBr TS51602 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.7 CC(C)CCCCCN TS05491 [0,0,0,0,0,0|2,0,0]=2 20 B8R0.7 CC(C)COCCCN TS36620 [0,0,0,0,0,0|3,0,0]=3 21 B8R0.7 CC(C)NCCCCO TS93789 [0,0,0,0,0,0|3,0,0]=3 22 B8R0.7 CC(C)OCCC[N+]#[C-] TS05282 [0,0,0,0,0,0|3,0,1]=4 23 B8R0.7 CCC#CCCC(C)C TS05053 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.7 CCCC#CCC(C)O TS36161 [0,0,0,0,0,0|0,0,2]=2 25 B8R0.7 CCCC=CCC(=O)O TS36290 [0,0,0,0,0,0|1,0,3]=4 26 B8R0.7 CCCCC#CC(=C)C TS32534 [0,0,0,0,0,0|1,0,3]=4 27 B8R0.7 CCCCC#CC(=O)O TS36120 [0,0,0,0,0,0|1,0,3]=4 28 B8R0.7 CCCCC=CC(=O)C TS05179 [0,0,0,0,0,0|0,0,4]=4 29 B8R0.7 CCCCC=CC(=O)O TS05335 [0,0,0,0,0,0|1,0,3]=4 30 B8R0.7 CCCCC=CC(C)O TS05371 [0,0,0,0,0,0|0,0,2]=2 31 B8R0.7 CCCCCCC(=O)C TS36325 [0,0,0,0,0,0|0,0,2]=2 32 B8R0.7 CCCCCCC(=O)Cl TS07515 [0,0,0,0,0,0|1,0,2]=3 33 B8R0.7 CCCCCCC(=O)N TS36432 [0,0,0,0,0,0|1,0,2]=3 34 B8R0.7 CCCCCCC(=O)O TS05558 [0,0,0,0,0,0|1,0,1]=2 35 B8R0.7 CCCCCCC(=O)[O-] TS10169 [0,0,0,0,0,0|1,0,2]=3 36 B8R0.7 CCCCCCC(C)Br TS51603 [0,0,0,0,0,0|1,0,0]=1 37 B8R0.7 CCCCCCC(C)C TS05423 [0,0,0,0,0,0|1,0,0]=1 38 B8R0.7 CCCCCCC(C)Cl TS07520 [0,0,0,0,0,0|1,0,0]=1 39 B8R0.7 CCCCCCC(C)I TS26460 [0,0,0,0,0,0|1,0,0]=1 40 B8R0.7 CCCCCCC(C)N TS05493 [0,0,0,0,0,0|1,0,0]=1 41 B8R0.7 CCCCCCC(C)O TS05590 [0,0,0,0,0,0|0,0,0]=0 42 B8R0.7 CCCCCCC(C)S TS40477 [0,0,0,0,0,0|0,1,0]=1 43 B8R0.7 CCCCCC[C@@H](C)N TS05497 [0,0,0,0,0,0|1,0,0]=1 44 B8R0.7 CCCCCC[C@@H](C)O TS05598 [0,0,0,0,0,0|0,0,0]=0 45 B8R0.7 CCCCCC[C@H](C)N TS05488 [0,0,0,0,0,0|1,0,0]=1 46 B8R0.7 CCCCCC[C@H](C)O TS46634 [0,0,0,0,0,0|0,0,0]=0 47 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [0,0,0,0,0,0|2,0,1]=3 48 B8R0.7 CCCCCC[SiH](Cl)Cl TS48718 [0,0,0,0,0,0|2,1,0]=3 49 B8R0.7 CCCCCOC(=O)C TS05568 [0,0,0,0,0,0|1,0,2]=3 50 B8R0.7 CCCCCOC(=O)Cl TS59753 [0,0,0,0,0,0|2,0,2]=4 51 B8R0.7 CCCCCON(=O)=O TS05817 [0,0,0,0,0,0|3,0,1]=4 52 B8R0.7 CCCCOCC(=O)O TS05720 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.7 CCCCOCC(C)O TS05758 [0,0,0,0,0,0|1,0,0]=1 54 B8R0.7 CCOCCOC(=O)C TS05728 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.7 CN(C)CCOCCO TS05833 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.7 COCCOCC(=O)O TS08222 [0,0,0,0,0,0|3,0,1]=4 57 B7R0.1 C#CCCCCCO TS01237 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.1 C(CCC#N)CCBr TS39357 [1,0,0,0,0,0|2,0,1]=4 59 B7R0.1 C(CCC#N)CCCl TS05684 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.1 C(CCC#N)CCN TS04328 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.1 C(CCCBr)CCBr TS07890 [1,0,0,0,0,0|2,0,0]=3 62 B7R0.1 C(CCCBr)CCCl TS00416 [1,0,0,0,0,0|2,0,0]=3 63 B7R0.1 C(CCCBr)CCO TS59727 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.1 C(CCCCl)CCCl TS10546 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.1 C(CCCCl)CCO TS06143 [1,0,0,0,0,0|1,0,0]=2 66 B7R0.1 C(CCCI)CCCl TS27509 [1,0,0,0,0,0|2,0,0]=3 67 B7R0.1 C(CCCN)CCN TS04632 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.1 C(CCCN)CCN TS41228 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.1 C(CCCN)CCN TS41960 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.1 C(CCCN)CCN TS42181 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.1 C(CCCO)CCN TS39356 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.1 C(CCCO)CCO TS46825 [1,0,0,0,0,0|1,0,0]=2 73 B7R0.1 C(CCCS)CCO TS36872 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.1 C(CCCS)CCS TS40940 [1,0,0,0,0,0|1,1,0]=3 75 B7R0.1 C(CCC[Zn+])CCCl TS68903 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.1 C(CCO)CC=NO TS04658 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.1 C(CN)CNCCBr TS56331 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.1 C(CN)CNCCN TS32302 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.1 C(CN)CNCCO TS56334 [1,0,0,0,0,0|2,0,0]=3 80 B7R0.1 C(CNCCN)CO TS32350 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.1 C(CNCCO)CO TS04790 [1,0,0,0,0,0|2,0,0]=3 82 B7R0.1 C(CO)C#CCCO TS32070 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.1 C(CSCCO)C#N TS05678 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.1 C(CSSCCO)O TS41445 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.1 C=CCCCCCBr TS59625 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.1 C=CCCCCCCl TS36738 [1,0,0,0,0,0|1,0,2]=4 87 B7R0.1 C=CCCCCCO TS04461 [1,0,0,0,0,0|0,0,2]=3 88 B7R0.1 C=CCOCCCO TS04587 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.1 C=COCCCCO TS32203 [1,0,0,0,0,0|1,0,2]=4 90 B7R0.1 CCC#CCCCCl TS36574 [1,0,0,0,0,0|1,0,2]=4 91 B7R0.1 CCC=CCCCO TS04463 [1,0,0,0,0,0|0,0,2]=3 92 B7R0.1 CCCC#CCCC TS31857 [1,0,0,0,0,0|0,0,2]=3 93 B7R0.1 CCCC#CCCO TS31945 [1,0,0,0,0,0|0,0,2]=3 94 B7R0.1 CCCC=CCCC TS31958 [1,0,0,0,0,0|0,0,2]=3 95 B7R0.1 CCCC=CCCO TS04459 [1,0,0,0,0,0|0,0,2]=3 96 B7R0.1 CCCC=COCC TS04469 [1,0,0,0,0,0|1,0,2]=4 97 B7R0.1 CCCCC#CCC TS31859 [1,0,0,0,0,0|0,0,2]=3 98 B7R0.1 CCCCC#CCO TS31930 [1,0,0,0,0,0|0,0,2]=3 99 B7R0.1 CCCCC=CCC TS04348 [1,0,0,0,0,0|0,0,2]=3 100 B7R0.1 CCCCC=CCC TS31974 [1,0,0,0,0,0|0,0,2]=3 101 B7R0.1 CCCCC=CCO TS32112 [1,0,0,0,0,0|0,0,2]=3 102 B7R0.1 CCCCCC#CC TS31856 [1,0,0,0,0,0|0,0,2]=3 103 B7R0.1 CCCCCC=CC TS31964 [1,0,0,0,0,0|0,0,2]=3 104 B7R0.1 CCCCCCC#C TS31852 [1,0,0,0,0,0|0,0,2]=3 105 B7R0.1 CCCCCCC#N TS31893 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.1 CCCCCCC=O TS32096 [1,0,0,0,0,0|0,0,2]=3 107 B7R0.1 CCCCCCCBr TS00035 [1,0,0,0,0,0|1,0,0]=2 108 B7R0.1 CCCCCCCCl TS36887 [1,0,0,0,0,0|1,0,0]=2 109 B7R0.1 CCCCCCCF TS32353 [1,0,0,0,0,0|1,0,0]=2 110 B7R0.1 CCCCCCCI TS52275 [1,0,0,0,0,0|1,0,0]=2 111 B7R0.1 CCCCCCCN TS04552 [1,0,0,0,0,0|1,0,0]=2 112 B7R0.1 CCCCCCCO TS32232 [1,0,0,0,0,0|0,0,0]=1 113 B7R0.1 CCCCCCCS TS05788 [1,0,0,0,0,0|0,1,0]=2 114 B7R0.1 CCCCCCNC TS04559 [1,0,0,0,0,0|1,0,0]=2 115 B7R0.1 CCCCCCOC TS32254 [1,0,0,0,0,0|1,0,0]=2 116 B7R0.1 CCCCCCSC TS05792 [1,0,0,0,0,0|1,0,0]=2 117 B7R0.1 CCCCCN=C=O TS04390 [1,0,0,0,0,0|1,0,2]=4 118 B7R0.1 CCCCCN=C=S TS36444 [1,0,0,0,0,0|1,1,1]=4 119 B7R0.1 CCCCCNCC TS04550 [1,0,0,0,0,0|1,0,0]=2 120 B7R0.1 CCCCCOCC TS32236 [1,0,0,0,0,0|1,0,0]=2 121 B7R0.1 CCCCCON=O TS04662 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.1 CCCCCSCC TS36717 [1,0,0,0,0,0|1,0,0]=2 123 B7R0.1 CCCCNCC#C TS31888 [1,0,0,0,0,0|1,0,2]=4 124 B7R0.1 CCCCNCCC TS04557 [1,0,0,0,0,0|1,0,0]=2 125 B7R0.1 CCCCNCCN TS04633 [1,0,0,0,0,0|2,0,0]=3 126 B7R0.1 CCCCNCCO TS32289 [1,0,0,0,0,0|1,0,0]=2 127 B7R0.1 CCCCNCCS TS36787 [1,0,0,0,0,0|1,1,0]=3 128 B7R0.1 CCCCOCC=C TS32094 [1,0,0,0,0,0|1,0,2]=4 129 B7R0.1 CCCCOCCBr TS48031 [1,0,0,0,0,0|2,0,0]=3 130 B7R0.1 CCCCOCCCl TS06142 [1,0,0,0,0,0|2,0,0]=3 131 B7R0.1 CCCCOCCO TS04738 [1,0,0,0,0,0|1,0,0]=2 132 B7R0.1 CCCCSCC#N TS36442 [1,0,0,0,0,0|2,0,1]=4 133 B7R0.1 CCCCSCCC TS05790 [1,0,0,0,0,0|1,0,0]=2 134 B7R0.1 CCCCSCCO TS36874 [1,0,0,0,0,0|1,0,0]=2 135 B7R0.1 CCCCSSCC TS40937 [1,0,0,0,0,0|2,0,0]=3 136 B7R0.1 CCCNCCC#N TS04329 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.1 CCCNCCCN TS32259 [1,0,0,0,0,0|2,0,0]=3 138 B7R0.1 CCCNCCN=O TS04604 [1,0,0,0,0,0|2,0,1]=4 139 B7R0.1 CCCOCCCN TS32295 [1,0,0,0,0,0|2,0,0]=3 140 B7R0.1 CCCSSCCC TS40941 [1,0,0,0,0,0|2,0,0]=3 141 B7R0.1 CCNCCCCN TS36623 [1,0,0,0,0,0|2,0,0]=3 142 B7R0.1 CCNCCCCO TS32294 [1,0,0,0,0,0|1,0,0]=2 143 B7R0.1 CCNCCNCC TS32258 [1,0,0,0,0,0|2,0,0]=3 144 B7R0.1 CCOCCCCCl TS06141 [1,0,0,0,0,0|2,0,0]=3 145 B7R0.1 CCOCCOCC TS32341 [1,0,0,0,0,0|2,0,0]=3 146 B7R0.1 CNCCCCC=C TS93899 [1,0,0,0,0,0|1,0,2]=4 147 B7R0.1 CNCCCCNC TS04634 [1,0,0,0,0,0|2,0,0]=3 148 B7R0.1 CNCCNCCN TS32303 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.1 COCCOCCBr TS48373 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.1 COCCOCCCl TS37251 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.1 CSCCCCSC TS40938 [1,0,0,0,0,0|2,0,0]=3 152 B7R0.4 B(CCCCC)(O)O TS01615 [1,0,0,0,0,0|2,0,0]=3 153 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,0,0,0,0,0|2,0,1]=4 154 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.4 C(CCN)CC(=O)O TS04661 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.4 C(CCN)CC(=O)O TS41314 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.4 CC#CCCC(C)C TS31843 [1,0,0,0,0,0|1,0,2]=4 158 B7R0.4 CC(=O)CCCCBr TS47671 [1,0,0,0,0,0|1,0,2]=4 159 B7R0.4 CC(=O)CCCCCl TS05947 [1,0,0,0,0,0|1,0,2]=4 160 B7R0.4 CC(C)CCCC=C TS31960 [1,0,0,0,0,0|1,0,2]=4 161 B7R0.4 CC(C)CCCCBr TS14341 [1,0,0,0,0,0|2,0,0]=3 162 B7R0.4 CC(C)CCCCCl TS36890 [1,0,0,0,0,0|2,0,0]=3 163 B7R0.4 CC(C)COCCO TS04743 [1,0,0,0,0,0|3,0,0]=4 164 B7R0.4 CC(C)CSCCO TS36873 [1,0,0,0,0,0|3,0,0]=4 165 B7R0.4 CC(C)NCCCN TS04629 [1,0,0,0,0,0|3,0,0]=4 166 B7R0.4 CC(C)NCCOC TS32291 [1,0,0,0,0,0|3,0,0]=4 167 B7R0.4 CC(C)OCCCN TS32297 [1,0,0,0,0,0|3,0,0]=4 168 B7R0.4 CC(CCCCO)O TS04744 [1,0,0,0,0,0|1,0,0]=2 169 B7R0.4 CC(CNCCN)O TS32351 [1,0,0,0,0,0|2,0,0]=3 170 B7R0.4 CC=CCCC(C)C TS31977 [1,0,0,0,0,0|1,0,2]=4 171 B7R0.4 CCC#CCC(C)C TS04215 [1,0,0,0,0,0|1,0,2]=4 172 B7R0.4 CCC#CCC(C)O TS31938 [1,0,0,0,0,0|0,0,2]=3 173 B7R0.4 CCC=CCC(C)C TS04361 [1,0,0,0,0,0|1,0,2]=4 174 B7R0.4 CCCC=CC(C)C TS04365 [1,0,0,0,0,0|1,0,2]=4 175 B7R0.4 CCCCC=C(C)C TS04347 [1,0,0,0,0,0|1,0,2]=4 176 B7R0.4 CCCCCC(=C)C TS04340 [1,0,0,0,0,0|1,0,1]=3 177 B7R0.4 CCCCCC(=O)C TS32098 [1,0,0,0,0,0|0,0,2]=3 178 B7R0.4 CCCCCC(=O)Cl TS05948 [1,0,0,0,0,0|1,0,2]=4 179 B7R0.4 CCCCCC(=O)N TS32152 [1,0,0,0,0,0|1,0,2]=4 180 B7R0.4 CCCCCC(=O)O TS32204 [1,0,0,0,0,0|1,0,1]=3 181 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,0,0,0,0,0|1,0,2]=4 182 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,0,0,0,0,0|1,0,2]=4 183 B7R0.4 CCCCCC(C)Br TS14342 [1,0,0,0,0,0|1,0,0]=2 184 B7R0.4 CCCCCC(C)C TS32120 [1,0,0,0,0,0|1,0,0]=2 185 B7R0.4 CCCCCC(C)Cl TS05959 [1,0,0,0,0,0|1,0,0]=2 186 B7R0.4 CCCCCC(C)N TS04560 [1,0,0,0,0,0|1,0,0]=2 187 B7R0.4 CCCCCC(C)O TS32255 [1,0,0,0,0,0|0,0,0]=1 188 B7R0.4 CCCCC[C@@H](C)N TS04556 [1,0,0,0,0,0|1,0,0]=2 189 B7R0.4 CCCCC[C@@H](C)O TS04622 [1,0,0,0,0,0|0,0,0]=1 190 B7R0.4 CCCCC[C@H](C)N TS04553 [1,0,0,0,0,0|1,0,0]=2 191 B7R0.4 CCCCC[C@H](C)O TS32248 [1,0,0,0,0,0|0,0,0]=1 192 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [1,0,0,0,0,0|2,0,1]=4 193 B7R0.4 CCCCNC(=O)C TS32171 [1,0,0,0,0,0|1,0,2]=4 194 B7R0.4 CCCCOC(=O)C TS32218 [1,0,0,0,0,0|1,0,2]=4 195 B7R0.4 CCCCOC(=S)C TS05777 [1,0,0,0,0,0|1,1,1]=4 196 B7R0.4 CCCCOC(Cl)Cl TS10816 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.4 CCCCSC(C)C TS05791 [1,0,0,0,0,0|2,0,0]=3 198 B7R0.4 CCCNCC(=O)O TS04670 [1,0,0,0,0,0|2,0,1]=4 199 B7R0.4 CCCOCC(=O)O TS32314 [1,0,0,0,0,0|2,0,1]=4 200 B7R0.4 CCCOCC(C)O TS04740 [1,0,0,0,0,0|1,0,0]=2 201 B7R0.4 CCCSCC(=O)O TS05921 [1,0,0,0,0,0|2,0,1]=4 202 B7R0.4 CCCSCC(C)C TS05789 [1,0,0,0,0,0|2,0,0]=3 203 B7R0.4 CCNCCN(C)C TS04631 [1,0,0,0,0,0|3,0,0]=4 204 B7R0.4 CCOCCC(=O)C TS04589 [1,0,0,0,0,0|1,0,2]=4 205 B7R0.4 CCOCCC(=O)O TS32325 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.4 CCSCCC(C)C TS05793 [1,0,0,0,0,0|2,0,0]=3 207 B7R0.4 CN(C)CCCCN TS32257 [1,0,0,0,0,0|3,0,0]=4 208 B7R0.4 CN(C)CCCCO TS32288 [1,0,0,0,0,0|3,0,0]=4 209 B7R0.4 CNCCCC(=O)O TS41308 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.4 CNCCCN(C)C TS08611 [1,0,0,0,0,0|3,0,0]=4 211 B7R0.4 C[C@H](CCCCO)O TS04737 [1,0,0,0,0,0|1,0,0]=2 212 B9R0.1 CC(C)CCCC(=O)OC TS06994 [0,1,0,0,0,0|2,0,1]=4 213 B9R0.1 CC(C)CCCC(C)C=C TS06517 [0,1,0,0,0,0|1,0,2]=4 214 B9R0.1 CCC(=O)OCCC(C)C TS06990 [0,1,0,0,0,0|2,0,1]=4 215 B9R0.1 CCC(C)CCCC(C)C TS06782 [0,1,0,0,0,0|1,0,0]=2 216 B9R0.1 CCC(C)OCCC(=O)C TS06972 [0,1,0,0,0,0|1,0,2]=4 217 B9R0.2 B(C=CCCCCC)(O)O TS06634 [0,1,0,0,0,0|2,0,1]=4 218 B9R0.2 C(CCCBr)CCC(=O)Cl TS24416 [0,1,0,0,0,0|1,0,2]=4 219 B9R0.2 C(CCCBr)CCC(=O)O TS16501 [0,1,0,0,0,0|1,0,1]=3 220 B9R0.2 C(CCCCl)CCC(=O)O TS11959 [0,1,0,0,0,0|1,0,1]=3 221 B9R0.2 C(CCCN)CCC(=O)O TS48161 [0,1,0,0,0,0|1,0,1]=3 222 B9R0.2 C(CCCN)CCC(=O)O TS59742 [0,1,0,0,0,0|1,0,1]=3 223 B9R0.2 C(CCCO)CCC(=O)O TS55677 [0,1,0,0,0,0|1,0,1]=3 224 B9R0.2 CC(=O)OCCCCCBr TS20687 [0,1,0,0,0,0|1,0,2]=4 225 B9R0.2 CC(=O)OCCCCCCl TS11956 [0,1,0,0,0,0|1,0,2]=4 226 B9R0.2 CC(C)CCCCCCBr TS39155 [0,1,0,0,0,0|1,0,0]=2 227 B9R0.2 CC(C)CCCCCCN TS06894 [0,1,0,0,0,0|1,0,0]=2 228 B9R0.2 CC(COCC#CCO)O TS06946 [0,1,0,0,0,0|1,0,2]=4 229 B9R0.2 CCCCC=CCC(=O)O TS37609 [0,1,0,0,0,0|1,0,2]=4 230 B9R0.2 CCCCCC#CC(=O)O TS37382 [0,1,0,0,0,0|1,0,2]=4 231 B9R0.2 CCCCCC=CC(=O)O TS06694 [0,1,0,0,0,0|1,0,2]=4 232 B9R0.2 CCCCCCCC(=C)C TS06520 [0,1,0,0,0,0|1,0,1]=3 233 B9R0.2 CCCCCCCC(=O)C TS06758 [0,1,0,0,0,0|0,0,2]=3 234 B9R0.2 CCCCCCCC(=O)Cl TS11637 [0,1,0,0,0,0|1,0,2]=4 235 B9R0.2 CCCCCCCC(=O)N TS40110 [0,1,0,0,0,0|1,0,2]=4 236 B9R0.2 CCCCCCCC(=O)O TS40219 [0,1,0,0,0,0|1,0,1]=3 237 B9R0.2 CCCCCCCC(=O)[O-] TS43087 [0,1,0,0,0,0|1,0,2]=4 238 B9R0.2 CCCCCCCC(=O)[O-] TS48323 [0,1,0,0,0,0|1,0,2]=4 239 B9R0.2 CCCCCCCC(=O)[O-] TS64558 [0,1,0,0,0,0|1,0,2]=4 240 B9R0.2 CCCCCCCC(C)Br TS39158 [0,1,0,0,0,0|1,0,0]=2 241 B9R0.2 CCCCCCCC(C)C TS37672 [0,1,0,0,0,0|1,0,0]=2 242 B9R0.2 CCCCCCC[C@@H](C)N TS06891 [0,1,0,0,0,0|1,0,0]=2 243 B9R0.2 CCCCCCC[C@H](C)N TS06890 [0,1,0,0,0,0|1,0,0]=2 244 B9R0.2 CCCCCCNC(=S)N TS11310 [0,1,0,0,0,0|1,1,1]=4 245 B9R0.2 CCCCCCOC(=O)C TS40201 [0,1,0,0,0,0|0,0,2]=3 246 B9R0.2 CCCCCCOC(=O)Cl TS11953 [0,1,0,0,0,0|1,0,2]=4 247 B9R0.2 CCCCCCOC(=S)[S-] TS49163 [0,1,0,0,0,0|1,1,1]=4 248 B9R0.2 CCCCNCCC(=O)N TS07002 [0,1,0,0,0,0|1,0,2]=4 249 B9R0.2 CCCCNCCC(=O)O TS40320 [0,1,0,0,0,0|1,0,1]=3 250 B9R0.2 CCCNOCCN(C)C TS40458 [0,1,0,0,0,0|3,0,0]=4 251 B9R0.2 CN(C)CCCCCCN TS07034 [0,1,0,0,0,0|2,0,0]=3 252 B9R0.2 CN(C)CCCCCCO TS40334 [0,1,0,0,0,0|2,0,0]=3 253 B9R0.4 CCC#CC(CC(C)C)O TS37411 [0,1,0,0,0,0|1,0,2]=4 254 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,1,0,0,0,0|0,0,3]=4 255 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,1,0,0,0,0|1,0,1]=3 256 B9R0.4 CCCCC(C)CC(=O)O TS40195 [0,1,0,0,0,0|1,0,1]=3 257 B9R0.4 CCCCC(CC(=O)O)O TS40420 [0,1,0,0,0,0|1,0,1]=3 258 B9R0.4 CCCCC(CC(C)C)O TS40246 [0,1,0,0,0,0|1,0,0]=2 259 B9R0.4 CCCC[C@@H](C)CC(=O)O TS40197 [0,1,0,0,0,0|1,0,1]=3 260 B9R0.4 CCCC[C@H](C)CC(=O)O TS40208 [0,1,0,0,0,0|1,0,1]=3 261 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,1,0,0,0,0|2,0,1]=4 262 B9R0.4 CSCC[C@@H](CC(=O)O)N TS37818 [0,1,0,0,0,0|2,0,1]=4 263 B9R0.38 CC(C)(C)CCCCCO TS40238 [0,1,0,0,0,0|2,0,0]=3 264 B9R0.38 CCCCCCC(C)(C)Cl TS11639 [0,1,0,0,0,0|1,0,0]=2 265 B9R0.38 CCCCCCC(C)(C)O TS40249 [0,1,0,0,0,0|0,0,0]=1 266 B9R0.38 CCCCCCC(C)(C)S TS11319 [0,1,0,0,0,0|0,1,0]=2 267 B9R0.38 CCCCCCN(=O)(C)C TS40338 [0,1,0,0,0,0|1,0,1]=3 268 B9R0.38 CCCCCCP(=O)(Cl)Cl TS38379 [0,1,0,0,0,0|2,0,1]=4 269 B9R0.38 CCCCCCP(=O)(O)O TS43019 [0,1,0,0,0,0|2,0,0]=3 270 B9R0.38 CCCCCCS(=O)(=O)Cl TS64995 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.38 CCCCCCS(=O)(=O)[O-] TS50731 [0,1,0,0,0,0|2,0,1]=4 272 B9R0.38 CCCCCC[Si](C)(C)Cl TS14315 [0,1,0,0,0,0|1,1,0]=3 273 B9R0.38 CCCCCC[Si](C)(Cl)Cl TS37716 [0,1,0,0,0,0|1,1,0]=3 274 B9R0.38 CCCCCC[Si](Cl)(Cl)Cl TS49676 [0,1,0,0,0,0|2,1,0]=4 275 B9R0.38 CCCCCC[Si](F)(F)F TS12840 [0,1,0,0,0,0|2,1,0]=4 276 B9R0.38 CCNCCNC(C)(C)C TS07031 [0,1,0,0,0,0|3,0,0]=4 277 B9R0.38 CCOCCOC(C)(C)C TS07246 [0,1,0,0,0,0|3,0,0]=4 278 B9R0.38 C[N+](C)(C)CCCCCBr TS57993 [0,1,0,0,0,0|3,0,0]=4 279 B9R0.46 C(CCC(CO)O)CCO TS40640 [0,1,0,0,0,0|1,0,0]=2 280 B9R0.46 C=CCCCCC(CO)O TS06977 [0,1,0,0,0,0|0,0,2]=3 281 B9R0.46 CCC(C)CCCCC#C TS37234 [0,1,0,0,0,0|1,0,2]=4 282 B9R0.46 CCCC#CCC(CC)O TS06493 [0,1,0,0,0,0|0,0,2]=3 283 B9R0.46 CCCCCCC(=O)CC TS06757 [0,1,0,0,0,0|0,0,2]=3 284 B9R0.46 CCCCCCC(=O)OC TS06976 [0,1,0,0,0,0|0,0,2]=3 285 B9R0.46 CCCCCCC(C)C=O TS02438 [0,1,0,0,0,0|0,0,1]=2 286 B9R0.46 CCCCCCC(C)CBr TS39157 [0,1,0,0,0,0|1,0,0]=2 287 B9R0.46 CCCCCCC(C)CC TS37670 [0,1,0,0,0,0|1,0,0]=2 288 B9R0.46 CCCCCCC(C=C)O TS06738 [0,1,0,0,0,0|0,0,1]=2 289 B9R0.46 CCCCCCC(CC)O TS40234 [0,1,0,0,0,0|0,0,0]=1 290 B9R0.46 CCCCCCC(CCl)Cl TS48396 [0,1,0,0,0,0|1,0,0]=2 291 B9R0.46 CCCCCCC(CO)O TS07249 [0,1,0,0,0,0|0,0,0]=1 292 B9R0.46 CCCCCC[C@@H](CO)O TS07255 [0,1,0,0,0,0|0,0,0]=1 293 B9R0.46 CCCCCC[C@H](CF)O TS07486 [0,1,0,0,0,0|0,0,0]=1 294 B9R0.46 CCCCCC[C@H](CO)O TS07254 [0,1,0,0,0,0|0,0,0]=1 295 B9R0.46 CCCCCOC(=O)CC TS06970 [0,1,0,0,0,0|1,0,2]=4 296 B9R0.46 CCCCCOC(=O)CN TS48166 [0,1,0,0,0,0|1,0,2]=4 297 B9R0.46 CC[C@H](C)CCCCCO TS40233 [0,1,0,0,0,0|2,0,0]=3 298 B9R0.46 COC(=O)CCCCCBr TS20689 [0,1,0,0,0,0|1,0,2]=4 299 B9R0.46 COC(=O)CCCCCN TS48164 [0,1,0,0,0,0|1,0,2]=4 300 B9R0.46 COC(=O)CCCCCO TS40427 [0,1,0,0,0,0|1,0,2]=4 301 B9R0.47 C(CCBr)CC(C(=O)O)Br TS74394 [0,1,0,0,0,0|2,0,1]=4 302 B9R0.47 C(CCN)CC(C(=O)O)N TS39859 [0,1,0,0,0,0|2,0,1]=4 303 B9R0.47 C(CCN)CC(C(=O)O)N TS49566 [0,1,0,0,0,0|2,0,1]=4 304 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS01964 [0,1,0,0,0,0|2,0,1]=4 305 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS07239 [0,1,0,0,0,0|2,0,1]=4 306 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS16616 [0,1,0,0,0,0|2,0,1]=4 307 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS20155 [0,1,0,0,0,0|2,0,1]=4 308 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS34096 [0,1,0,0,0,0|2,0,1]=4 309 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS49563 [0,1,0,0,0,0|2,0,1]=4 310 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS54315 [0,1,0,0,0,0|2,0,1]=4 311 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS74520 [0,1,0,0,0,0|2,0,1]=4 312 B9R0.47 C(CCN)C[C@@H](C(=O)O)N TS92968 [0,1,0,0,0,0|2,0,1]=4 313 B9R0.47 C(CCN)C[C@H](C(=O)O)N TS07236 [0,1,0,0,0,0|2,0,1]=4 314 B9R0.47 C(CCO)CC(C(=O)O)N TS07321 [0,1,0,0,0,0|2,0,1]=4 315 B9R0.47 C(CCO)C[C@@H](C(=O)O)N TS40513 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.47 CCCCCC(=C(C)C)C TS06522 [0,1,0,0,0,0|1,0,2]=4 317 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,1,0,0,0,0|0,0,3]=4 318 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,1,0,0,0,0|1,0,1]=3 319 B9R0.47 CCCCCC(=O)N(C)C TS40099 [0,1,0,0,0,0|2,0,1]=4 320 B9R0.47 CCCCCC(C(=O)O)Br TS20690 [0,1,0,0,0,0|1,0,1]=3 321 B9R0.47 CCCCCC(C(=O)O)N TS07110 [0,1,0,0,0,0|1,0,1]=3 322 B9R0.47 CCCCCC(C(C)C)O TS40248 [0,1,0,0,0,0|1,0,0]=2 323 B9R0.47 CCCCCC(C)C(=O)O TS40214 [0,1,0,0,0,0|1,0,1]=3 324 B9R0.47 CCCCCC(C)C(C)C TS06796 [0,1,0,0,0,0|1,0,0]=2 325 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,1,0,0,0,0|2,0,1]=4 327 B9R0.47 CCSCCC(C(=O)O)N TS39380 [0,1,0,0,0,0|2,0,1]=4 328 B9R0.47 CCSCC[C@@H](C(=O)O)N TS42612 [0,1,0,0,0,0|2,0,1]=4 329 B9R0.47 CCSCC[C@H](C(=O)O)N TS42611 [0,1,0,0,0,0|2,0,1]=4 330 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,1,0,0,0,0|0,0,3]=4 331 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,1,0,0,0,0|2,0,1]=4 332 B9R0.48 CCCC(C)CCC(=O)C TS37638 [0,1,0,0,0,0|0,0,2]=3 333 B9R0.48 CCCC(C)COC(=O)C TS40203 [0,1,0,0,0,0|1,0,2]=4 334 B9R0.48 CCOC(=O)CCC(C)C TS06969 [0,1,0,0,0,0|2,0,1]=4 335 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [0,1,0,0,0,0|2,0,1]=4 336 B9R0.55 CC(=O)CCCCC(=O)O TS06938 [0,1,0,0,0,0|1,0,2]=4 337 B9R0.55 CC(C)CCCCC(=O)O TS65177 [0,1,0,0,0,0|1,0,1]=3 338 B9R0.55 CC(C)CCCCC(C)C TS37668 [0,1,0,0,0,0|1,0,0]=2 339 B9R0.55 CC(C)COCCC(=O)C TS06991 [0,1,0,0,0,0|1,0,2]=4 340 B9R0.55 CC(C)CSSCC(C)C TS14291 [0,1,0,0,0,0|3,0,0]=4 341 B9R0.55 CC(C)NCCNC(C)C TS93147 [0,1,0,0,0,0|3,0,0]=4 342 B9R0.55 CN(C)CCCCC(=O)O TS48163 [0,1,0,0,0,0|2,0,1]=4 343 B9R0.55 CN(C)CCCCN(C)C TS07038 [0,1,0,0,0,0|3,0,0]=4 344 B9R0.55 CP(C)CCCCP(C)C TS47536 [0,1,0,0,0,0|3,0,0]=4 345 B9R1.2 C1CC(CC(C1)N)CN TS36364 [0,0,0,1,0,0|2,0,0]=3 346 B9R1.2 CCC1CCCC(C1)C TS36177 [0,0,0,1,0,0|1,0,0]=2 347 B9R1.2 CCN1CCCC(=O)C1 TS11774 [0,0,0,1,0,0|1,0,2]=4 348 B9R1.2 CCN1CCCC(=O)C1 TS36243 [0,0,0,1,0,0|1,0,2]=4 349 B9R1.2 CCN1CCCC(C1)Cl TS07397 [0,0,0,1,0,0|2,0,0]=3 350 B9R1.2 CCN1CCCC(C1)N TS36358 [0,0,0,1,0,0|2,0,0]=3 351 B9R1.2 CCN1CCCC(C1)O TS05480 [0,0,0,1,0,0|1,0,0]=2 352 B9R1.2 CC[C@H]1CCC[C@H](C1)C TS05224 [0,0,0,1,0,0|1,0,0]=2 353 B9R1.2 CN1CCCC(C1)CCl TS15229 [0,0,0,1,0,0|3,0,0]=4 354 B9R1.2 CN1CCCC(C1)CN TS36366 [0,0,0,1,0,0|3,0,0]=4 355 B9R1.2 CN1CCCC(C1)CO TS36419 [0,0,0,1,0,0|3,0,0]=4 356 B9R1.2 CN1CCC[C@@H](C1)CN TS87230 [0,0,0,1,0,0|3,0,0]=4 357 B9R1.2 CN1CCC[C@H](C1)CN TS85884 [0,0,0,1,0,0|3,0,0]=4 358 B9R1.6 B(C1CCCCC1)(O)O TS85497 [0,0,0,1,0,0|2,0,0]=3 359 B9R1.6 B(C1CCOCC1)(O)O TS59438 [0,0,0,1,0,0|3,0,0]=4 360 B9R1.6 C1CC(CNC1)C(=O)O TS05456 [0,0,0,1,0,0|2,0,1]=4 361 B9R1.6 C1CC(CNC1)C(=O)O TS94707 [0,0,0,1,0,0|2,0,1]=4 362 B9R1.6 C1CC(COC1)C(=O)O TS02098 [0,0,0,1,0,0|2,0,1]=4 363 B9R1.6 C1CC(CSC1)C(=O)O TS91315 [0,0,0,1,0,0|2,0,1]=4 364 B9R1.6 C1CCC(CC1)C(=O)Cl TS07288 [0,0,0,1,0,0|1,0,2]=4 365 B9R1.6 C1CCC(CC1)C(=O)N TS00205 [0,0,0,1,0,0|1,0,2]=4 366 B9R1.6 C1CCC(CC1)C(=O)[O-] TS40838 [0,0,0,1,0,0|1,0,2]=4 367 B9R1.6 C1CCC(CC1)P(Cl)Cl TS15417 [0,0,0,1,0,0|3,0,0]=4 368 B9R1.6 C1CCC(CC1)[N+](=O)[O-] TS56408 [0,0,0,1,0,0|2,0,1]=4 369 B9R1.6 C1CCN(CC1)C(=O)O TS05459 [0,0,0,1,0,0|2,0,1]=4 370 B9R1.6 C1CCNC(C1)C(=O)O TS02458 [0,0,0,1,0,0|2,0,1]=4 371 B9R1.6 C1CCNC(C1)C(=O)O TS42975 [0,0,0,1,0,0|2,0,1]=4 372 B9R1.6 C1CCNC(C1)C(=O)O TS94706 [0,0,0,1,0,0|2,0,1]=4 373 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS56211 [0,0,0,1,0,0|2,0,1]=4 374 B9R1.6 C1CCN[C@@H](C1)C(=O)O TS94954 [0,0,0,1,0,0|2,0,1]=4 375 B9R1.6 C1CCN[C@H](C1)C(=O)O TS01764 [0,0,0,1,0,0|2,0,1]=4 376 B9R1.6 C1CCN[C@H](C1)C(=O)O TS94583 [0,0,0,1,0,0|2,0,1]=4 377 B9R1.6 C1CCOC(C1)C(=O)O TS05536 [0,0,0,1,0,0|2,0,1]=4 378 B9R1.6 C1CNCCC1C(=O)O TS42979 [0,0,0,1,0,0|2,0,1]=4 379 B9R1.6 C1CNCCC1C(=O)O TS71280 [0,0,0,1,0,0|2,0,1]=4 380 B9R1.6 C1CNCCC1C(F)F TS86466 [0,0,0,1,0,0|3,0,0]=4 381 B9R1.6 C1COCCC1C(=O)O TS05526 [0,0,0,1,0,0|2,0,1]=4 382 B9R1.6 C1CSCCC1C(=O)O TS89293 [0,0,0,1,0,0|2,0,1]=4 383 B9R1.6 C1C[C@@H](CNC1)C(=O)O TS46667 [0,0,0,1,0,0|2,0,1]=4 384 B9R1.6 C1C[C@H](CNC1)C(=O)O TS00308 [0,0,0,1,0,0|2,0,1]=4 385 B9R1.6 C1C[C@H](CNC1)C(=O)O TS59489 [0,0,0,1,0,0|2,0,1]=4 386 B9R1.6 CC(=O)C1CCCCC1 TS05176 [0,0,0,1,0,0|0,0,2]=3 387 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,0,0,1,0,0|1,0,2]=4 388 B9R1.6 CC(=O)N1CCCCC1 TS05281 [0,0,0,1,0,0|1,0,2]=4 389 B9R1.6 CC(C)C1=CCCCC1 TS05054 [0,0,0,1,0,0|1,0,2]=4 390 B9R1.6 CC(C)C1CNCCN1 TS19165 [0,0,0,1,0,0|3,0,0]=4 391 B9R1.6 CC(C)N1CCNCC1 TS19168 [0,0,0,1,0,0|3,0,0]=4 392 B9R1.6 CC(C)N1CCNCC1 TS56406 [0,0,0,1,0,0|3,0,0]=4 393 B9R1.6 CC(C)[C@@H]1CNCCN1 TS19167 [0,0,0,1,0,0|3,0,0]=4 394 B9R1.6 CC(C)[C@H]1CNCCN1 TS36350 [0,0,0,1,0,0|3,0,0]=4 395 B9R1.6 CC(C1CCCCC1)O TS36346 [0,0,0,1,0,0|0,0,0]=1 396 B9R1.6 CN(C)C1CCCCC1 TS36253 [0,0,0,1,0,0|2,0,0]=3 397 B9R1.6 CN(C)C1CCCNC1 TS36357 [0,0,0,1,0,0|3,0,0]=4 398 B9R1.6 C[C@@H](C1CCCCC1)N TS36257 [0,0,0,1,0,0|1,0,0]=2 399 B9R1.6 C[C@H](C1CCCCC1)N TS36259 [0,0,0,1,0,0|1,0,0]=2 400 B9R1.6 C[SiH](C)C1CCCCC1 TS37674 [0,0,0,1,0,0|1,1,0]=3 401 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,0,0,1,0,0|1,0,1]=3 402 B9R1.7 CCCC1OCC(O1)C TS05559 [0,0,0,1,0,0|1,0,0]=2 403 B9R1.7 CN1CCC(C1)CCN TS87742 [0,0,0,1,0,0|3,0,0]=4 404 B9R1.7 CN1CCC(C1)CCO TS90139 [0,0,0,1,0,0|3,0,0]=4 405 B9R1.13 C1CCC(C1)CC(=O)Cl TS07289 [0,0,0,1,0,0|1,0,2]=4 406 B9R1.13 C1CCC(C1)CC(=O)O TS27085 [0,0,0,1,0,0|1,0,1]=3 407 B9R1.13 C1CNCC1CC(=O)O TS86561 [0,0,0,1,0,0|2,0,1]=4 408 B9R1.13 C1CNC[C@@H]1CC(=O)O TS91621 [0,0,0,1,0,0|2,0,1]=4 409 B9R1.13 C1CNC[C@H]1CC(=O)O TS88661 [0,0,0,1,0,0|2,0,1]=4 410 B9R1.13 C1C[C@@H](NC1)CC(=O)O TS91258 [0,0,0,1,0,0|2,0,1]=4 411 B9R1.13 C1C[C@H](NC1)CC(=O)O TS36411 [0,0,0,1,0,0|2,0,1]=4 412 B9R1.13 CC(=O)CC1CCCC1 TS05185 [0,0,0,1,0,0|0,0,2]=3 413 B9R1.13 CC(C)CC1CCCC1 TS05219 [0,0,0,1,0,0|1,0,0]=2 414 B9R1.13 CC(C)CC1CCCC1 TS81235 [0,0,0,1,0,0|1,0,0]=2 415 B9R1.13 CC(CN1CCCC1)N TS36355 [0,0,0,1,0,0|2,0,0]=3 416 B9R1.13 CN(C)CC1CCCC1 TS26984 [0,0,0,1,0,0|2,0,0]=3 417 B9R1.13 CN(C)CC1CCCN1 TS36361 [0,0,0,1,0,0|3,0,0]=4 418 B9R1.13 CN(C)C[C@@H]1CCCN1 TS90021 [0,0,0,1,0,0|3,0,0]=4 419 B9R1.13 CN(C)C[C@H]1CCCN1 TS87920 [0,0,0,1,0,0|3,0,0]=4 420 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,0,0,1,0,0|2,0,1]=4 421 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,0,0,1,0,0|2,0,1]=4 422 B9R1.40 CC1(CNCCC1O)C TS87076 [0,0,0,1,0,0|3,0,0]=4 423 B9R1.40 CC1CCCCC1(C)C TS05231 [0,0,0,1,0,0|1,0,0]=2 424 B9R1.40 CC1CCNCC1(F)F TS88370 [0,0,0,1,0,0|3,0,0]=4 425 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS36408 [0,0,0,1,0,0|2,0,1]=4 426 B9R1.41 C1C[C@H]([C@H](C1)N)C(=O)O TS85102 [0,0,0,1,0,0|2,0,1]=4 427 B9R1.41 CN1CCC[C@H]1C(=O)O TS01601 [0,0,0,1,0,0|2,0,1]=4 428 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O TS46518 [0,0,0,1,0,0|2,0,1]=4 429 B9R1.50 C1CCCC(CCC1)Br TS17235 [0,0,0,1,0,0|1,0,0]=2 430 B9R1.50 C1CCCNC(=O)CC1 TS05275 [0,0,0,1,0,0|1,0,2]=4 431 B9R1.50 CC1=CCCCCCC1 TS05043 [0,0,0,1,0,0|1,0,1]=3 432 B9R1.50 CC1CCCCCC=C1 TS05055 [0,0,0,1,0,0|1,0,1]=3 433 B9R1.50 CC1CCCCCCC1 TS05222 [0,0,0,1,0,0|1,0,0]=2 434 B9R1.83 C=CCCCCC1CO1 TS36159 [0,0,0,1,0,0|0,0,2]=3 435 B9R1.83 CCCCCCC1CO1 TS05397 [0,0,0,1,0,0|0,0,0]=1 436 B9R1.83 CCCCCC[C@@H]1CO1 TS05392 [0,0,0,1,0,0|0,0,0]=1 437 B9R1.83 CCCCOCC1CO1 TS36506 [0,0,0,1,0,0|1,0,0]=2 438 B9R1.84 C1CC(C1)CC[N+](=O)[O-] TS36397 [0,0,0,1,0,0|2,0,1]=4 439 B9R1.148 C1CC(CCNC1)(F)F TS88965 [0,0,0,1,0,0|3,0,0]=4 440 B9R1.148 CC1(CCCCCC1)O TS05376 [0,0,0,1,0,0|0,0,0]=1 441 B9R1.148 CC1(CCCNCC1)O TS91736 [0,0,0,1,0,0|1,0,0]=2 442 B6R0.6 C#CCCCCO TS31426 [2,0,0,0,0,0|0,0,2]=4 443 B6R0.6 C(CCBr)CCBr TS07888 [2,0,0,0,0,0|2,0,0]=4 444 B6R0.6 C(CCCl)CCBr TS48788 [2,0,0,0,0,0|2,0,0]=4 445 B6R0.6 C(CCCl)CCCl TS06550 [2,0,0,0,0,0|2,0,0]=4 446 B6R0.6 C(CCCl)CCI TS53384 [2,0,0,0,0,0|2,0,0]=4 447 B6R0.6 C(CCCl)CC[Zn+] TS28126 [2,0,0,0,0,0|2,0,0]=4 448 B6R0.6 C(CCI)CCI TS77462 [2,0,0,0,0,0|2,0,0]=4 449 B6R0.6 C(CCN)CCN TS03978 [2,0,0,0,0,0|2,0,0]=4 450 B6R0.6 C(CCN)CCN TS45899 [2,0,0,0,0,0|2,0,0]=4 451 B6R0.6 C(CCN)CCO TS04006 [2,0,0,0,0,0|1,0,0]=3 452 B6R0.6 C(CCO)CC=O TS03340 [2,0,0,0,0,0|1,0,1]=4 453 B6R0.6 C(CCO)CCBr TS09812 [2,0,0,0,0,0|1,0,0]=3 454 B6R0.6 C(CCO)CCCl TS71520 [2,0,0,0,0,0|1,0,0]=3 455 B6R0.6 C(CCO)CCO TS46820 [2,0,0,0,0,0|1,0,0]=3 456 B6R0.6 C(CCS)CCS TS37065 [2,0,0,0,0,0|1,1,0]=4 457 B6R0.6 C(CNCCO)N TS00063 [2,0,0,0,0,0|2,0,0]=4 458 B6R0.6 C(CO)NCCO TS04076 [2,0,0,0,0,0|2,0,0]=4 459 B6R0.6 C(CO)NCCO TS37530 [2,0,0,0,0,0|2,0,0]=4 460 B6R0.6 C(CO)NCCO TS76269 [2,0,0,0,0,0|2,0,0]=4 461 B6R0.6 C(COCCCl)O TS36027 [2,0,0,0,0,0|2,0,0]=4 462 B6R0.6 C(COCCO)N TS04075 [2,0,0,0,0,0|2,0,0]=4 463 B6R0.6 C(COCCO)O TS01431 [2,0,0,0,0,0|2,0,0]=4 464 B6R0.6 C(COCCS)O TS32524 [2,0,0,0,0,0|2,0,0]=4 465 B6R0.6 C(CSCCO)N TS04873 [2,0,0,0,0,0|2,0,0]=4 466 B6R0.6 C(CSCCO)O TS32771 [2,0,0,0,0,0|2,0,0]=4 467 B6R0.6 C=CCCCCO TS71562 [2,0,0,0,0,0|0,0,2]=4 468 B6R0.6 CC=CCCCO TS31509 [2,0,0,0,0,0|0,0,2]=4 469 B6R0.6 CC=CCCCO TS31521 [2,0,0,0,0,0|0,0,2]=4 470 B6R0.6 CCC=CCCO TS31511 [2,0,0,0,0,0|0,0,2]=4 471 B6R0.6 CCC=CCCO TS31515 [2,0,0,0,0,0|0,0,2]=4 472 B6R0.6 CCCC#CCC TS03730 [2,0,0,0,0,0|0,0,2]=4 473 B6R0.6 CCCC=CCO TS03865 [2,0,0,0,0,0|0,0,2]=4 474 B6R0.6 CCCCC#CC TS03724 [2,0,0,0,0,0|0,0,2]=4 475 B6R0.6 CCCCC=CC TS03803 [2,0,0,0,0,0|0,0,2]=4 476 B6R0.6 CCCCCC#C TS03726 [2,0,0,0,0,0|0,0,2]=4 477 B6R0.6 CCCCCC#N TS31405 [2,0,0,0,0,0|1,0,1]=4 478 B6R0.6 CCCCCC=C TS31453 [2,0,0,0,0,0|0,0,2]=4 479 B6R0.6 CCCCCC=O TS39877 [2,0,0,0,0,0|0,0,2]=4 480 B6R0.6 CCCCCCBr TS00036 [2,0,0,0,0,0|1,0,0]=3 481 B6R0.6 CCCCCCC TS03885 [2,0,0,0,0,0|0,0,0]=2 482 B6R0.6 CCCCCCCl TS04842 [2,0,0,0,0,0|1,0,0]=3 483 B6R0.6 CCCCCCF TS31676 [2,0,0,0,0,0|1,0,0]=3 484 B6R0.6 CCCCCCI TS93973 [2,0,0,0,0,0|1,0,0]=3 485 B6R0.6 CCCCCCN TS31561 [2,0,0,0,0,0|1,0,0]=3 486 B6R0.6 CCCCCCN TS37145 [2,0,0,0,0,0|1,0,0]=3 487 B6R0.6 CCCCCCO TS39881 [2,0,0,0,0,0|0,0,0]=2 488 B6R0.6 CCCCCCS TS04753 [2,0,0,0,0,0|0,1,0]=3 489 B6R0.6 CCCCCC[SiH3] TS04643 [2,0,0,0,0,0|0,1,0]=3 490 B6R0.6 CCCCCC[Zn+] TS24970 [2,0,0,0,0,0|1,0,0]=3 491 B6R0.6 CCCCCNC TS03916 [2,0,0,0,0,0|1,0,0]=3 492 B6R0.6 CCCCCNN TS06331 [2,0,0,0,0,0|2,0,0]=4 493 B6R0.6 CCCCCSC TS04750 [2,0,0,0,0,0|1,0,0]=3 494 B6R0.6 CCCCC[Mg]Cl TS36578 [2,0,0,0,0,0|2,0,0]=4 495 B6R0.6 CCCCNCC TS03925 [2,0,0,0,0,0|1,0,0]=3 496 B6R0.6 CCCCOCC TS03964 [2,0,0,0,0,0|1,0,0]=3 497 B6R0.6 CCCCOCCl TS04949 [2,0,0,0,0,0|2,0,0]=4 498 B6R0.6 CCCCSCC TS04749 [2,0,0,0,0,0|1,0,0]=3 499 B6R0.6 CCCNCCC TS39857 [2,0,0,0,0,0|1,0,0]=3 500 B6R0.6 CCCNCCN TS03973 [2,0,0,0,0,0|2,0,0]=4 501 B6R0.6 CCCNCCO TS04001 [2,0,0,0,0,0|1,0,0]=3 502 B6R0.6 CCCOCCC TS03967 [2,0,0,0,0,0|1,0,0]=3 503 B6R0.6 CCCOCCC TS49356 [2,0,0,0,0,0|1,0,0]=3 504 B6R0.6 CCCOCCCl TS04951 [2,0,0,0,0,0|2,0,0]=4 505 B6R0.6 CCCOCCN TS04012 [2,0,0,0,0,0|2,0,0]=4 506 B6R0.6 CCCSCCC TS04756 [2,0,0,0,0,0|1,0,0]=3 507 B6R0.6 CCCSCCO TS32433 [2,0,0,0,0,0|1,0,0]=3 508 B6R0.6 CCCSSCC TS37066 [2,0,0,0,0,0|2,0,0]=4 509 B6R0.6 CCC[Hg]CCC TS35002 [2,0,0,0,0,0|1,0,0]=3 510 B6R0.6 CCNCCCN TS03975 [2,0,0,0,0,0|2,0,0]=4 511 B6R0.6 CCNCCNC TS03972 [2,0,0,0,0,0|2,0,0]=4 512 B6R0.6 CCOCCCBr TS12340 [2,0,0,0,0,0|2,0,0]=4 513 B6R0.6 CCOCCCCl TS04950 [2,0,0,0,0,0|2,0,0]=4 514 B6R0.6 CCOCCCN TS04010 [2,0,0,0,0,0|2,0,0]=4 515 B6R0.6 CCOCCCO TS04028 [2,0,0,0,0,0|1,0,0]=3 516 B6R0.6 CCOCCOC TS04027 [2,0,0,0,0,0|2,0,0]=4 517 B6R0.6 CCOCOCC TS74492 [2,0,0,0,0,0|2,0,0]=4 518 B6R0.6 CCSCCCO TS32432 [2,0,0,0,0,0|1,0,0]=3 519 B6R0.6 CNCCCNC TS56351 [2,0,0,0,0,0|2,0,0]=4 520 B6R0.6 COCCCCBr TS03145 [2,0,0,0,0,0|2,0,0]=4 521 B6R0.6 COCCCCCl TS39592 [2,0,0,0,0,0|2,0,0]=4 522 B6R0.6 COCCCCO TS07977 [2,0,0,0,0,0|1,0,0]=3 523 B6R0.6 CSCCCCO TS32429 [2,0,0,0,0,0|1,0,0]=3 524 B6R0.6 CSCCCSC TS37067 [2,0,0,0,0,0|2,0,0]=4 525 B6R0.6 [Li]CCCCCC TS03654 [2,0,0,0,0,0|1,0,0]=3 526 B6R0.4 B(CCCC)(O)O TS94589 [2,0,0,0,0,0|2,0,0]=4 527 B6R0.4 CC(C)CCCBr TS42858 [2,0,0,0,0,0|2,0,0]=4 528 B6R0.4 CC(C)CCCO TS03963 [2,0,0,0,0,0|2,0,0]=4 529 B6R0.4 CC(C)CCNC TS03922 [2,0,0,0,0,0|2,0,0]=4 530 B6R0.4 CC(CCC=C)O TS31524 [2,0,0,0,0,0|0,0,2]=4 531 B6R0.4 CC(CCCBr)Br TS52922 [2,0,0,0,0,0|2,0,0]=4 532 B6R0.4 CC(CCCO)O TS04032 [2,0,0,0,0,0|1,0,0]=3 533 B6R0.4 CCC#CC(C)O TS31430 [2,0,0,0,0,0|0,0,2]=4 534 B6R0.4 CCCCC(=C)C TS31452 [2,0,0,0,0,0|1,0,1]=4 535 B6R0.4 CCCCC(=O)C TS31529 [2,0,0,0,0,0|0,0,2]=4 536 B6R0.4 CCCCC(=O)O TS03958 [2,0,0,0,0,0|1,0,1]=4 537 B6R0.4 CCCCC(C)Br TS42855 [2,0,0,0,0,0|1,0,0]=3 538 B6R0.4 CCCCC(C)C TS03881 [2,0,0,0,0,0|1,0,0]=3 539 B6R0.4 CCCCC(C)Cl TS04843 [2,0,0,0,0,0|1,0,0]=3 540 B6R0.4 CCCCC(C)I TS44108 [2,0,0,0,0,0|1,0,0]=3 541 B6R0.4 CCCCC(C)N TS31565 [2,0,0,0,0,0|1,0,0]=3 542 B6R0.4 CCCCC(C)O TS31617 [2,0,0,0,0,0|0,0,0]=2 543 B6R0.4 CCCCN(C)C TS03927 [2,0,0,0,0,0|2,0,0]=4 544 B6R0.4 CCCC[C@@H](C)N TS03923 [2,0,0,0,0,0|1,0,0]=3 545 B6R0.4 CCCC[C@@H](C)O TS03965 [2,0,0,0,0,0|0,0,0]=2 546 B6R0.4 CCCC[C@H](C)N TS03919 [2,0,0,0,0,0|1,0,0]=3 547 B6R0.4 CCCC[C@H](C)O TS31613 [2,0,0,0,0,0|0,0,0]=2 548 B6R0.4 CCCC[Si](C)C TS04645 [2,0,0,0,0,0|1,1,0]=4 549 B6R0.4 CCCC[Sn](=O)O TS43570 [2,0,0,0,0,0|2,0,0]=4 550 B6R0.4 CCCNC(C)C TS03926 [2,0,0,0,0,0|2,0,0]=4 551 B6R0.4 CCCSC(C)C TS32368 [2,0,0,0,0,0|2,0,0]=4 552 B6R0.4 CCOCC(C)C TS03959 [2,0,0,0,0,0|2,0,0]=4 553 B6R0.4 CCSCC(C)C TS04752 [2,0,0,0,0,0|2,0,0]=4 554 B6R0.4 C[C@@H](CCC=C)O TS03860 [2,0,0,0,0,0|0,0,2]=4 555 B8R0.1 CCCC(=O)OCCC TS05549 [1,1,0,0,0,0|1,0,1]=4 556 B8R0.1 CCCC(C)CCCO TS36530 [1,1,0,0,0,0|0,0,0]=2 557 B8R0.1 CCCCC(=O)CCC TS36329 [1,1,0,0,0,0|0,0,1]=3 558 B8R0.1 CCCCC(=O)OCC TS36495 [1,1,0,0,0,0|1,0,1]=4 559 B8R0.1 CCCCC(C)CCC TS05416 [1,1,0,0,0,0|0,0,0]=2 560 B8R0.1 CCCCC(C)CCO TS05597 [1,1,0,0,0,0|0,0,0]=2 561 B8R0.1 CCCCC(C=CC)O TS05375 [1,1,0,0,0,0|0,0,2]=4 562 B8R0.1 CCCCC(CC=C)O TS36339 [1,1,0,0,0,0|0,0,2]=4 563 B8R0.1 CCCCC(CCC)Br TS51606 [1,1,0,0,0,0|0,0,0]=2 564 B8R0.1 CCCCC(CCC)Cl TS07522 [1,1,0,0,0,0|0,0,0]=2 565 B8R0.1 CCCCC(CCC)I TS26461 [1,1,0,0,0,0|0,0,0]=2 566 B8R0.1 CCCCC(CCC)O TS36547 [1,1,0,0,0,0|0,0,0]=2 567 B8R0.1 CCCCN(C)CCN TS05610 [1,1,0,0,0,0|2,0,0]=4 568 B8R0.1 CCCC[C@@H](C)CCO TS36538 [1,1,0,0,0,0|0,0,0]=2 569 B8R0.1 CCOCC(C)OCC TS05764 [1,1,0,0,0,0|2,0,0]=4 570 B8R0.1 CN(CCCN)CCO TS36698 [1,1,0,0,0,0|2,0,0]=4 571 B8R0.4 C#CCCCCCCO TS05177 [1,1,0,0,0,0|0,0,1]=3 572 B8R0.4 C(CCCBr)CCC#N TS51024 [1,1,0,0,0,0|1,0,1]=4 573 B8R0.4 C(CCCBr)CCCBr TS68070 [1,1,0,0,0,0|1,0,0]=3 574 B8R0.4 C(CCCCl)CCC#N TS07151 [1,1,0,0,0,0|1,0,1]=4 575 B8R0.4 C(CCCCl)CCCCl TS44969 [1,1,0,0,0,0|1,0,0]=3 576 B8R0.4 C(CCCN)CCCN TS05605 [1,1,0,0,0,0|1,0,0]=3 577 B8R0.4 C(CCCN)CCCO TS36619 [1,1,0,0,0,0|0,0,0]=2 578 B8R0.4 C(CCCO)CCCBr TS55654 [1,1,0,0,0,0|0,0,0]=2 579 B8R0.4 C(CCCO)CCCO TS36690 [1,1,0,0,0,0|0,0,0]=2 580 B8R0.4 C(CCC[Zn+])CCC#N TS67764 [1,1,0,0,0,0|1,0,1]=4 581 B8R0.4 C(CCNCCO)CN TS36704 [1,1,0,0,0,0|1,0,0]=3 582 B8R0.4 C(CN)CNCCCN TS36625 [1,1,0,0,0,0|2,0,0]=4 583 B8R0.4 C(CN)COCCCN TS36713 [1,1,0,0,0,0|2,0,0]=4 584 B8R0.4 C(CNCCCO)CO TS02184 [1,1,0,0,0,0|1,0,0]=3 585 B8R0.4 C(CO)CSCCCO TS09957 [1,1,0,0,0,0|1,0,0]=3 586 B8R0.4 C(CSCSCCO)O TS44931 [1,1,0,0,0,0|2,0,0]=4 587 B8R0.4 C=CCCCCCCBr TS01315 [1,1,0,0,0,0|0,0,2]=4 588 B8R0.4 C=CCCCCCCO TS05382 [1,1,0,0,0,0|0,0,1]=3 589 B8R0.4 CCC=CCCCCO TS36323 [1,1,0,0,0,0|0,0,1]=3 590 B8R0.4 CCCC#CCCCCl TS07053 [1,1,0,0,0,0|0,0,2]=4 591 B8R0.4 CCCCC#CCCC TS05048 [1,1,0,0,0,0|0,0,1]=3 592 B8R0.4 CCCCC#CCCO TS36147 [1,1,0,0,0,0|0,0,1]=3 593 B8R0.4 CCCCC=CCCC TS05206 [1,1,0,0,0,0|0,0,1]=3 594 B8R0.4 CCCCC=CCCO TS36327 [1,1,0,0,0,0|0,0,1]=3 595 B8R0.4 CCCCC=COCC TS05398 [1,1,0,0,0,0|0,0,2]=4 596 B8R0.4 CCCCCC#CCBr TS50858 [1,1,0,0,0,0|0,0,2]=4 597 B8R0.4 CCCCCC#CCC TS05059 [1,1,0,0,0,0|0,0,1]=3 598 B8R0.4 CCCCCC#CCCl TS07054 [1,1,0,0,0,0|0,0,2]=4 599 B8R0.4 CCCCCC#CCO TS05190 [1,1,0,0,0,0|0,0,1]=3 600 B8R0.4 CCCCCC=CCC TS36181 [1,1,0,0,0,0|0,0,1]=3 601 B8R0.4 CCCCCC=CCO TS05393 [1,1,0,0,0,0|0,0,1]=3 602 B8R0.4 CCCCCCC#CC TS05062 [1,1,0,0,0,0|0,0,1]=3 603 B8R0.4 CCCCCCC=CC TS05227 [1,1,0,0,0,0|0,0,1]=3 604 B8R0.4 CCCCCCC=NO TS36429 [1,1,0,0,0,0|0,0,1]=3 605 B8R0.4 CCCCCCCC#C TS05045 [1,1,0,0,0,0|0,0,1]=3 606 B8R0.4 CCCCCCCC#N TS05112 [1,1,0,0,0,0|0,0,1]=3 607 B8R0.4 CCCCCCCC=C TS05208 [1,1,0,0,0,0|0,0,1]=3 608 B8R0.4 CCCCCCCC=O TS05399 [1,1,0,0,0,0|0,0,1]=3 609 B8R0.4 CCCCCCCCBr TS00038 [1,1,0,0,0,0|0,0,0]=2 610 B8R0.4 CCCCCCCCC TS05427 [1,1,0,0,0,0|0,0,0]=2 611 B8R0.4 CCCCCCCCCl TS07517 [1,1,0,0,0,0|0,0,0]=2 612 B8R0.4 CCCCCCCCF TS05771 [1,1,0,0,0,0|0,0,0]=2 613 B8R0.4 CCCCCCCCN TS05489 [1,1,0,0,0,0|0,0,0]=2 614 B8R0.4 CCCCCCCCN TS12120 [1,1,0,0,0,0|0,0,0]=2 615 B8R0.4 CCCCCCCCN TS20855 [1,1,0,0,0,0|0,0,0]=2 616 B8R0.4 CCCCCCCCO TS36550 [1,1,0,0,0,0|0,0,0]=2 617 B8R0.4 CCCCCCCCS TS40481 [1,1,0,0,0,0|0,0,0]=2 618 B8R0.4 CCCCCCCC[Si] TS07042 [1,1,0,0,0,0|0,0,0]=2 619 B8R0.4 CCCCCCCNC TS05499 [1,1,0,0,0,0|0,0,0]=2 620 B8R0.4 CCCCCCN=C=O TS36237 [1,1,0,0,0,0|0,0,2]=4 621 B8R0.4 CCCCCCN=C=S TS06881 [1,1,0,0,0,0|0,1,1]=4 622 B8R0.4 CCCCCCNCC TS05500 [1,1,0,0,0,0|0,0,0]=2 623 B8R0.4 CCCCCCOC=O TS36508 [1,1,0,0,0,0|0,0,2]=4 624 B8R0.4 CCCCCCSCC TS40479 [1,1,0,0,0,0|0,0,0]=2 625 B8R0.4 CCCCCNCCO TS36622 [1,1,0,0,0,0|0,0,0]=2 626 B8R0.4 CCCCCOCC=C TS05379 [1,1,0,0,0,0|0,0,2]=4 627 B8R0.4 CCCCCOCCO TS36691 [1,1,0,0,0,0|0,0,0]=2 628 B8R0.4 CCCCNCCC#N TS36164 [1,1,0,0,0,0|1,0,1]=4 629 B8R0.4 CCCCNCCCC TS55846 [1,1,0,0,0,0|0,0,0]=2 630 B8R0.4 CCCCOCCC#N TS36235 [1,1,0,0,0,0|1,0,1]=4 631 B8R0.4 CCCCOCCCC TS05599 [1,1,0,0,0,0|0,0,0]=2 632 B8R0.4 CCCCOCCCN TS36614 [1,1,0,0,0,0|1,0,0]=3 633 B8R0.4 CCCCPCCCC TS40455 [1,1,0,0,0,0|0,0,0]=2 634 B8R0.4 CCCCSCCCC TS40480 [1,1,0,0,0,0|0,0,0]=2 635 B8R0.4 CCCC[GeH2]CCCC TS16104 [1,1,0,0,0,0|0,0,0]=2 636 B8R0.4 CCCC[Hg]CCCC TS76737 [1,1,0,0,0,0|0,0,0]=2 637 B8R0.4 CCCC[NH2+]CCCC TS49201 [1,1,0,0,0,0|0,0,0]=2 638 B8R0.4 CCCC[Sn+2]CCCC TS64754 [1,1,0,0,0,0|0,0,0]=2 639 B8R0.4 CCCC[Sn+2]CCCC TS78833 [1,1,0,0,0,0|0,0,0]=2 640 B8R0.4 CCCC[Sn+2]CCCC TS79757 [1,1,0,0,0,0|0,0,0]=2 641 B8R0.4 CCCC[Te]CCCC TS57621 [1,1,0,0,0,0|0,0,0]=2 642 B8R0.4 CCCC[Zn]CCCC TS14479 [1,1,0,0,0,0|0,0,0]=2 643 B8R0.4 CCCOCOCCC TS05761 [1,1,0,0,0,0|1,0,0]=3 644 B8R0.4 CCCSSSCCC TS15052 [1,1,0,0,0,0|2,0,0]=4 645 B8R0.4 CCNCCCNCC TS05606 [1,1,0,0,0,0|1,0,0]=3 646 B8R0.4 CCOCCOCCO TS05898 [1,1,0,0,0,0|1,0,0]=3 647 B8R0.4 CNCCCCCCO TS36615 [1,1,0,0,0,0|0,0,0]=2 648 B8R0.4 COCCCCCOC TS36689 [1,1,0,0,0,0|1,0,0]=3 649 B8R0.4 COCCNCCOC TS05839 [1,1,0,0,0,0|2,0,0]=4 650 B8R0.4 COCCOCCCBr TS53805 [1,1,0,0,0,0|2,0,0]=4 651 B8R0.4 COCCOCCCN TS05831 [1,1,0,0,0,0|2,0,0]=4 652 B8R0.4 COCCOCCOC TS36825 [1,1,0,0,0,0|2,0,0]=4 653 B8R0.4 [B+](CCCC)CCCC TS33566 [1,1,0,0,0,0|0,0,0]=2 654 B8R0.6 C(CCO)CC(CO)O TS05901 [1,1,0,0,0,0|1,0,0]=3 655 B8R0.6 CCC#CCC(CC)O TS05178 [1,1,0,0,0,0|0,0,2]=4 656 B8R0.6 CCC(C)CCCCO TS36535 [1,1,0,0,0,0|0,0,0]=2 657 B8R0.6 CCCCCC(=O)CC TS36343 [1,1,0,0,0,0|0,0,1]=3 658 B8R0.6 CCCCCC(=O)NO TS05662 [1,1,0,0,0,0|1,0,1]=4 659 B8R0.6 CCCCCC(=O)OC TS36499 [1,1,0,0,0,0|1,0,1]=4 660 B8R0.6 CCCCCC(C#C)O TS05191 [1,1,0,0,0,0|0,0,2]=4 661 B8R0.6 CCCCCC(C)CC TS05415 [1,1,0,0,0,0|0,0,0]=2 662 B8R0.6 CCCCCC(C)CO TS36542 [1,1,0,0,0,0|0,0,0]=2 663 B8R0.6 CCCCCC(C=C)O TS36349 [1,1,0,0,0,0|0,0,2]=4 664 B8R0.6 CCCCCC(CC)Br TS51604 [1,1,0,0,0,0|0,0,0]=2 665 B8R0.6 CCCCCC(CC)Cl TS07523 [1,1,0,0,0,0|0,0,0]=2 666 B8R0.6 CCCCCC(CC)O TS36536 [1,1,0,0,0,0|0,0,0]=2 667 B8R0.6 CCCCCC(CO)O TS05756 [1,1,0,0,0,0|0,0,0]=2 668 B8R0.6 CCCCC[C@@H](C#C)O TS36148 [1,1,0,0,0,0|0,0,2]=4 669 B8R0.6 CCCCC[C@@H](C=C)O TS36348 [1,1,0,0,0,0|0,0,2]=4 670 B8R0.6 CCCCNC(=O)CC TS36435 [1,1,0,0,0,0|1,0,1]=4 671 B8R0.6 CCCCOC(=O)CC TS05554 [1,1,0,0,0,0|1,0,1]=4 672 B8R0.6 CCCCOC(=O)CO TS05729 [1,1,0,0,0,0|1,0,1]=4 673 B8R0.6 CC[C@H](C)CCCCO TS05594 [1,1,0,0,0,0|0,0,0]=2 674 B8R0.5 CCCC(=O)CC(C)C TS05373 [1,1,0,0,0,0|1,0,1]=4 675 B8R0.5 CCCC(C)CC(=C)C TS36185 [1,1,0,0,0,0|1,0,1]=4 676 B8R0.5 CCCC(C)CC(=O)C TS05394 [1,1,0,0,0,0|0,0,2]=4 677 B8R0.5 CCCC(C)CC(=O)O TS05545 [1,1,0,0,0,0|1,0,1]=4 678 B8R0.5 CCCC(C)CC(C)C TS05407 [1,1,0,0,0,0|1,0,0]=3 679 B8R0.5 CCCC(C)CC(C)O TS05587 [1,1,0,0,0,0|0,0,0]=2 680 B8R0.5 CCCC(CC(C)C)O TS36545 [1,1,0,0,0,0|1,0,0]=3 681 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [1,1,0,0,0,0|1,0,1]=4 682 B8R0.5 CCOC(=O)CC(C)O TS36658 [1,1,0,0,0,0|1,0,1]=4 683 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [1,1,0,0,0,0|1,0,1]=4 684 B8R0.8 CCCCC(=O)C(C)C TS36328 [1,1,0,0,0,0|1,0,1]=4 685 B8R0.8 CCCCC(C(=C)C)O TS36338 [1,1,0,0,0,0|1,0,1]=4 686 B8R0.8 CCCCC(C(=O)O)Br TS51947 [1,1,0,0,0,0|1,0,1]=4 687 B8R0.8 CCCCC(C(=O)O)N TS05663 [1,1,0,0,0,0|1,0,1]=4 688 B8R0.8 CCCCC(C(=O)O)O TS05717 [1,1,0,0,0,0|1,0,1]=4 689 B8R0.8 CCCCC(C(C)C)O TS05585 [1,1,0,0,0,0|1,0,0]=3 690 B8R0.8 CCCCC(C)C(=O)C TS05385 [1,1,0,0,0,0|0,0,2]=4 691 B8R0.8 CCCCC(C)C(=O)O TS05567 [1,1,0,0,0,0|1,0,1]=4 692 B8R0.8 CCCCC(C)C(C)C TS05429 [1,1,0,0,0,0|1,0,0]=3 693 B8R0.8 CCCCC(C)C(C)O TS05586 [1,1,0,0,0,0|0,0,0]=2 694 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [1,1,0,0,0,0|1,0,1]=4 695 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [1,1,0,0,0,0|1,0,1]=4 696 B8R0.8 CCCOC(=O)C(C)O TS05710 [1,1,0,0,0,0|1,0,1]=4 697 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [1,1,0,0,0,0|1,0,1]=4 698 B8R0.9 CC(CO)OCC(C)O TS05902 [1,1,0,0,0,0|2,0,0]=4 699 B8R0.9 CCC(=O)CCC(C)C TS05386 [1,1,0,0,0,0|1,0,1]=4 700 B8R0.9 CCC(C)CCC(=O)C TS05381 [1,1,0,0,0,0|0,0,2]=4 701 B8R0.9 CCC(C)CCC(=O)O TS36505 [1,1,0,0,0,0|1,0,1]=4 702 B8R0.9 CCC(C)CCC(C)C TS05428 [1,1,0,0,0,0|1,0,0]=3 703 B8R0.9 CCC(C)CCC(C)O TS36529 [1,1,0,0,0,0|0,0,0]=2 704 B8R0.9 CCC(CCC(C)C)O TS05596 [1,1,0,0,0,0|1,0,0]=3 705 B8R0.21 CC(C)(C)CCCCO TS36552 [1,1,0,0,0,0|2,0,0]=4 706 B8R0.21 CCCCCC(C)(C)C TS05417 [1,1,0,0,0,0|1,0,0]=3 707 B8R0.21 CCCCCC(C)(C)O TS05593 [1,1,0,0,0,0|0,0,0]=2 708 B8R0.21 CCCCC[Si](C)(C)Cl TS11972 [1,1,0,0,0,0|1,1,0]=4 709 B8R0.21 CCCCC[Si](C)(Cl)Cl TS15425 [1,1,0,0,0,0|1,1,0]=4 710 B8R0.28 CC(C)CCCC(=C)C TS05218 [1,1,0,0,0,0|1,0,1]=4 711 B8R0.28 CC(C)CCCC(=O)O TS36507 [1,1,0,0,0,0|1,0,1]=4 712 B8R0.28 CC(C)CCCC(C)C TS05409 [1,1,0,0,0,0|1,0,0]=3 713 B8R0.28 CC(C)CCCC(C)N TS05490 [1,1,0,0,0,0|1,0,0]=3 714 B8R0.28 CC(C)CCCC(C)O TS36534 [1,1,0,0,0,0|0,0,0]=2 715 B8R0.28 CC(C)CNCC(C)C TS05496 [1,1,0,0,0,0|2,0,0]=4 716 B8R0.28 CC(C)CNCC(C)C TS12121 [1,1,0,0,0,0|2,0,0]=4 717 B8R0.28 CC(C)COCC(C)C TS05584 [1,1,0,0,0,0|2,0,0]=4 718 B8R0.28 CC(C)CSCC(C)C TS40482 [1,1,0,0,0,0|2,0,0]=4 719 B8R0.28 CC(C)C[Al+]CC(C)C TS08720 [1,1,0,0,0,0|2,0,0]=4 720 B8R0.28 CC(C)C[Al+]CC(C)C TS11262 [1,1,0,0,0,0|2,0,0]=4 721 B8R0.28 CC(C)C[Al+]CC(C)C TS46202 [1,1,0,0,0,0|2,0,0]=4 722 B8R0.28 CC(CNCC(C)N)N TS36624 [1,1,0,0,0,0|2,0,0]=4 723 B8R0.28 CC(CNCC(C)O)O TS01444 [1,1,0,0,0,0|1,0,0]=3 724 B8R0.28 C[C@@H](CCCC(C)C)N TS04561 [1,1,0,0,0,0|1,0,0]=3 725 B10R0.3 CC(C)CCCC(C)CCBr TS49922 [0,2,0,0,0,0|1,0,0]=3 726 B10R0.3 CC(C)CCCC(C)CCO TS11067 [0,2,0,0,0,0|1,0,0]=3 727 B10R0.3 CCCC(=O)OCCC(C)C TS11021 [0,2,0,0,0,0|1,0,1]=4 728 B10R0.3 CCCC(C)CCOC(=O)C TS11027 [0,2,0,0,0,0|0,0,2]=4 729 B10R0.3 CCCC(CCOC(=O)C)S TS46183 [0,2,0,0,0,0|0,0,2]=4 730 B10R0.60 CC=C(C)CCCC(C)(C)O TS41679 [0,2,0,0,0,0|0,0,2]=4 731 B10R0.65 CCC(C)(C)CCCC(=O)O TS11017 [0,2,0,0,0,0|1,0,1]=4 732 B10R0.65 CCC(C)(CCCC(C)C)O TS16820 [0,2,0,0,0,0|1,0,0]=3 733 B10R0.77 CCN(CC)CCCC(C)N TS41991 [0,2,0,0,0,0|2,0,0]=4 734 B10R0.77 CCN(CC)CCCC(C)O TS42090 [0,2,0,0,0,0|1,0,0]=3 735 B10R0.98 CC(C)CCOC(=O)C(C)O TS11281 [0,2,0,0,0,0|1,0,1]=4 736 B10R0.4 B(C=CCCCCCC)(O)O TS41569 [0,2,0,0,0,0|2,0,0]=4 737 B10R0.4 B(CCCCCCCC)(O)O TS41838 [0,2,0,0,0,0|2,0,0]=4 738 B10R0.4 C#CCCCCCCC(=O)O TS29475 [0,2,0,0,0,0|1,0,1]=4 739 B10R0.4 C(CCCC(=O)O)CCCBr TS01319 [0,2,0,0,0,0|1,0,1]=4 740 B10R0.4 C(CCCC(=O)O)CCCN TS11174 [0,2,0,0,0,0|1,0,1]=4 741 B10R0.4 C(CCCC(=O)O)CCCO TS11268 [0,2,0,0,0,0|1,0,1]=4 742 B10R0.4 C(CCNCCC(=O)O)CN TS68144 [0,2,0,0,0,0|1,0,1]=4 743 B10R0.4 CC(=O)OCCCCCCBr TS50269 [0,2,0,0,0,0|0,0,2]=4 744 B10R0.4 CC(C)CCCCCCCO TS41982 [0,2,0,0,0,0|1,0,0]=3 745 B10R0.4 CC(C)COCCOCCO TS11579 [0,2,0,0,0,0|2,0,0]=4 746 B10R0.4 CCCCCC=CCC(=O)O TS41642 [0,2,0,0,0,0|1,0,1]=4 747 B10R0.4 CCCCCCC#CC(=O)O TS41396 [0,2,0,0,0,0|1,0,1]=4 748 B10R0.4 CCCCCCC=CC(=O)C TS10484 [0,2,0,0,0,0|0,0,2]=4 749 B10R0.4 CCCCCCC=CC(=O)O TS41637 [0,2,0,0,0,0|1,0,1]=4 750 B10R0.4 CCCCCCCCC(=O)C TS10747 [0,2,0,0,0,0|0,0,2]=4 751 B10R0.4 CCCCCCCCC(=O)O TS11031 [0,2,0,0,0,0|1,0,1]=4 752 B10R0.4 CCCCCCCCC(C)Br TS49920 [0,2,0,0,0,0|1,0,0]=3 753 B10R0.4 CCCCCCCCC(C)C TS10780 [0,2,0,0,0,0|1,0,0]=3 754 B10R0.4 CCCCCCCCC(C)O TS41974 [0,2,0,0,0,0|0,0,0]=2 755 B10R0.4 CCCCCCCCN(C)C TS22279 [0,2,0,0,0,0|2,0,0]=4 756 B10R0.4 CCCCCCCCN(C)C TS41817 [0,2,0,0,0,0|2,0,0]=4 757 B10R0.4 CCCCCCCC[C@H](C)O TS41983 [0,2,0,0,0,0|0,0,0]=2 758 B10R0.4 CCCCNCCNC(C)C TS41985 [0,2,0,0,0,0|1,0,0]=3 759 B10R0.4 CCCCOCCOC(=O)C TS11278 [0,2,0,0,0,0|0,0,2]=4 760 B10R0.4 CN(C)CCCNCCCN TS42092 [0,2,0,0,0,0|2,0,0]=4 761 B10R0.4 CNCCCCCCN(C)C TS41989 [0,2,0,0,0,0|2,0,0]=4 762 B10R0.6 C(CCN)C[C@@H](CC(=O)O)N TS25356 [0,2,0,0,0,0|1,0,1]=4 763 B10R0.6 CCCCCC(=O)CC(=O)C TS10719 [0,2,0,0,0,0|0,0,2]=4 764 B10R0.6 CCCCCC(=O)CC(C)C TS10751 [0,2,0,0,0,0|1,0,0]=3 765 B10R0.6 CCCCCC(=O)OC(C)C TS11030 [0,2,0,0,0,0|1,0,1]=4 766 B10R0.6 CCCCCC(C)CC(=O)O TS11024 [0,2,0,0,0,0|1,0,1]=4 767 B10R0.6 CCCCCC(CC(=O)O)O TS11269 [0,2,0,0,0,0|1,0,1]=4 768 B10R0.6 CCCCCC(CC(C)C)O TS41977 [0,2,0,0,0,0|1,0,0]=3 769 B10R0.6 CCCCOC(=O)CC(C)C TS41947 [0,2,0,0,0,0|1,0,1]=4 770 B10R0.22 CCCCCCCC(C)(C)Cl TS46209 [0,2,0,0,0,0|1,0,0]=3 771 B10R0.22 CCCCCCCC(C)(C)O TS41969 [0,2,0,0,0,0|0,0,0]=2 772 B10R0.22 CCCCCCCN(=O)(C)C TS42089 [0,2,0,0,0,0|1,0,1]=4 773 B10R0.22 CCCCCCC[Si](C)(Cl)Cl TS44325 [0,2,0,0,0,0|1,1,0]=4 774 B10R0.22 CCCNCCNC(C)(C)C TS41986 [0,2,0,0,0,0|2,0,0]=4 775 B10R0.55 CCC(C)NCCNC(C)C TS41987 [0,2,0,0,0,0|2,0,0]=4 776 B10R0.74 CCC(C)CCCCCCBr TS49921 [0,2,0,0,0,0|1,0,0]=3 777 B10R0.74 CCCCCCCC(=O)CC TS41682 [0,2,0,0,0,0|0,0,2]=4 778 B10R0.74 CCCCCCCC(=O)OC TS01755 [0,2,0,0,0,0|0,0,2]=4 779 B10R0.74 CCCCCCCC(CC)O TS11069 [0,2,0,0,0,0|0,0,0]=2 780 B10R0.74 CCCCCCCC(CCl)Cl TS18419 [0,2,0,0,0,0|1,0,0]=3 781 B10R0.74 CCCCCCCC(CO)O TS11306 [0,2,0,0,0,0|0,0,0]=2 782 B10R0.74 CCCCCCOC(=O)CC TS41939 [0,2,0,0,0,0|0,0,2]=4 783 B10R0.74 CCCCCCOC(=O)CN TS18152 [0,2,0,0,0,0|0,0,2]=4 784 B10R0.74 CCCCNCCC(=O)OC TS11160 [0,2,0,0,0,0|0,0,2]=4 785 B10R0.74 CCCNCCNC(C)CC TS41993 [0,2,0,0,0,0|2,0,0]=4 786 B10R0.74 COC(=O)CCCCCCN TS11176 [0,2,0,0,0,0|0,0,2]=4 787 B10R0.74 COC(=O)CCCCCCN TS85142 [0,2,0,0,0,0|0,0,2]=4 788 B10R0.75 CCCCCCC(=O)C(=O)O TS10976 [0,2,0,0,0,0|1,0,1]=4 789 B10R0.75 CCCCCCC(=O)C(C)C TS10772 [0,2,0,0,0,0|1,0,0]=3 790 B10R0.75 CCCCCCC(=O)N(C)C TS10894 [0,2,0,0,0,0|0,0,2]=4 791 B10R0.75 CCCCCCC(C(=O)O)Br TS50267 [0,2,0,0,0,0|1,0,0]=3 792 B10R0.75 CCCCCCC(C(=O)O)N TS11153 [0,2,0,0,0,0|1,0,0]=3 793 B10R0.75 CCCCCCC(C(=O)O)O TS11275 [0,2,0,0,0,0|0,0,1]=3 794 B10R0.75 CCCCCCC(C(C)C)O TS41973 [0,2,0,0,0,0|0,0,0]=2 795 B10R0.75 CCCCCCC(C)C(=O)O TS11035 [0,2,0,0,0,0|0,0,0]=2 796 B10R0.75 CCCCCC[C@@H](C(=O)O)N TS11157 [0,2,0,0,0,0|1,0,0]=3 797 B10R0.75 CCCCCC[C@H](C(=O)O)N TS11158 [0,2,0,0,0,0|1,0,0]=3 798 B10R0.75 CCCCCOC(=O)C(C)C TS11028 [0,2,0,0,0,0|1,0,1]=4 799 B10R0.75 CCCCCOC(=O)C(C)O TS11274 [0,2,0,0,0,0|0,0,1]=3 800 B10R0.75 CCCCSC[C@@H](C(=O)O)N TS14083 [0,2,0,0,0,0|1,0,1]=4 801 B10R0.75 CNCCCC[C@@H](C(=O)O)N TS18381 [0,2,0,0,0,0|1,0,1]=4 802 B10R0.78 CCCCC(=O)CCC(C)C TS10761 [0,2,0,0,0,0|1,0,0]=3 803 B10R0.78 CCCCC(=O)OCC(C)C TS11032 [0,2,0,0,0,0|1,0,1]=4 804 B10R0.78 CCCCC(C)CCC(=O)O TS41944 [0,2,0,0,0,0|1,0,1]=4 805 B10R0.78 CCCCC(CCC(C)C)O TS11063 [0,2,0,0,0,0|1,0,0]=3 806 B10R0.97 C(COCCC(O)O)C(O)O TS43026 [0,2,0,0,0,0|2,0,0]=4 807 B10R0.97 CC(C)CCNCCC(C)C TS01443 [0,2,0,0,0,0|1,0,0]=3 808 B10R0.97 CC(C)CCOCCC(C)C TS11058 [0,2,0,0,0,0|1,0,0]=3 809 B10R0.97 CC(C)CCSCCC(C)C TS13581 [0,2,0,0,0,0|1,0,0]=3 810 B10R0.28 CCCCC(CC(F)(F)Br)Br TS58442 [0,2,0,0,0,0|2,0,0]=4 811 B10R0.28 CCCCC(CC(F)(F)F)I TS54300 [0,2,0,0,0,0|2,0,0]=4 812 B10R0.87 CCCCC(CC)CC(=O)O TS41941 [0,2,0,0,0,0|1,0,1]=4 813 B10R0.87 CCCCC(CC)CC(C)O TS41967 [0,2,0,0,0,0|0,0,0]=2 814 B10R0.87 CCCCC(CC)CN(C)C TS41816 [0,2,0,0,0,0|2,0,0]=4 815 B10R0.96 CC(C)CCC(CC(C)C)O TS11060 [0,2,0,0,0,0|1,0,0]=3 816 B10R0.5 CCCCCC(=O)C(C)(C)C TS10755 [0,2,0,0,0,0|1,0,1]=4 817 B10R0.5 CCCCCC(C(C)(C)C)O TS41979 [0,2,0,0,0,0|1,0,0]=3 818 B10R0.5 CCCCCC(N)P(=O)(O)O TS48058 [0,2,0,0,0,0|2,0,0]=4 819 B10R0.62 CCCCCCC(C)(C#C)O TS41422 [0,2,0,0,0,0|0,0,0]=2 820 B10R0.62 CCCCCCC(C)(C)CO TS11066 [0,2,0,0,0,0|0,0,0]=2 821 B10R0.62 CCCCCCC(C)(CC)O TS41972 [0,2,0,0,0,0|0,0,0]=2 822 B10R0.62 CCCCCCC(C=O)(Cl)Cl TS53808 [0,2,0,0,0,0|1,0,1]=4 823 B10R0.1 CCCCCCC(=O)CCC TS10748 [0,2,0,0,0,0|0,0,2]=4 824 B10R0.1 CCCCCCC(=O)OCC TS11034 [0,2,0,0,0,0|0,0,2]=4 825 B10R0.1 CCCCCCC(C)N=C=S TS45364 [0,2,0,0,0,0|0,1,0]=3 826 B10R0.1 CCCCCCC(CCC)O TS11068 [0,2,0,0,0,0|0,0,0]=2 827 B10R0.1 CCCCCCC(CCO)O TS19444 [0,2,0,0,0,0|0,0,0]=2 828 B10R0.1 CCCCCCC(CCO)O TS42204 [0,2,0,0,0,0|0,0,0]=2 829 B10R0.41 CCCCCCC(OC)OC TS11307 [0,2,0,0,0,0|0,0,0]=2 830 B10R0.83 CCCCCC(=O)C(C)CC TS10757 [0,2,0,0,0,0|1,0,1]=4 831 B10R0.83 CCCCCC(C(C)CC)O TS41980 [0,2,0,0,0,0|1,0,0]=3 832 B10R0.108 CC(COC)OCC(C)OC TS11581 [0,2,0,0,0,0|2,0,0]=4 833 B10R0.108 CCCC(=O)OCC(CO)O TS11532 [0,2,0,0,0,0|1,0,1]=4 834 B10R0.26 CCCC(C)CC(C)C(=O)C TS41688 [0,2,0,0,0,0|0,0,2]=4 835 B10R0.42 CCCCCC(C)(C(C)C)O TS11056 [0,2,0,0,0,0|1,0,0]=3 836 B10R0.42 CCCCCC(C)(C)C(=O)O TS11036 [0,2,0,0,0,0|1,0,1]=4 837 B10R0.105 CCCC(C)(C)CCC(=O)O TS11038 [0,2,0,0,0,0|1,0,1]=4 838 B10R0.105 CCCC(C)(CCC(C)C)O TS11054 [0,2,0,0,0,0|1,0,0]=3 839 B8R1.2 C1CC(CC=C1)CO TS31925 [1,0,0,1,0,0|0,0,2]=4 840 B8R1.2 C1CC(CC=C1)CO TS93417 [1,0,0,1,0,0|0,0,2]=4 841 B8R1.2 C1CC(CNC1)CO TS88392 [1,0,0,1,0,0|1,0,0]=3 842 B8R1.2 C1CC(COC1)CBr TS86643 [1,0,0,1,0,0|2,0,0]=4 843 B8R1.2 C1CC(COC1)CN TS46681 [1,0,0,1,0,0|2,0,0]=4 844 B8R1.2 C1CC(COC1)CO TS86137 [1,0,0,1,0,0|1,0,0]=3 845 B8R1.2 C1CCC(=NO)CC1 TS04394 [1,0,0,1,0,0|1,0,1]=4 846 B8R1.2 C1CCC(CC1)C#N TS31808 [1,0,0,1,0,0|1,0,1]=4 847 B8R1.2 C1CCC(CC1)C#N TS40668 [1,0,0,1,0,0|1,0,1]=4 848 B8R1.2 C1CCC(CC1)C=O TS01404 [1,0,0,1,0,0|0,0,2]=4 849 B8R1.2 C1CCC(CC1)CBr TS46572 [1,0,0,1,0,0|1,0,0]=3 850 B8R1.2 C1CCC(CC1)CCl TS36740 [1,0,0,1,0,0|1,0,0]=3 851 B8R1.2 C1CCC(CC1)CN TS04402 [1,0,0,1,0,0|1,0,0]=3 852 B8R1.2 C1CCC(CC1)CO TS04473 [1,0,0,1,0,0|0,0,0]=2 853 B8R1.2 C1CCC(CC1)CS TS05617 [1,0,0,1,0,0|0,1,0]=3 854 B8R1.2 C1CCC(CC1)NO TS10098 [1,0,0,1,0,0|1,0,0]=3 855 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [1,0,0,1,0,0|2,0,0]=4 856 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [1,0,0,1,0,0|2,0,0]=4 857 B8R1.2 C1CCN(CC1)CCl TS05849 [1,0,0,1,0,0|2,0,0]=4 858 B8R1.2 C1CCN(CC1)CO TS32161 [1,0,0,1,0,0|1,0,0]=3 859 B8R1.2 C1CCNC(C1)CN TS02462 [1,0,0,1,0,0|2,0,0]=4 860 B8R1.2 C1CCNC(C1)CO TS02460 [1,0,0,1,0,0|1,0,0]=3 861 B8R1.2 C1CCOC(C1)CCl TS05953 [1,0,0,1,0,0|1,0,0]=3 862 B8R1.2 C1CCOC(C1)CN TS59436 [1,0,0,1,0,0|1,0,0]=3 863 B8R1.2 C1CCOC(C1)CN TS59437 [1,0,0,1,0,0|1,0,0]=3 864 B8R1.2 C1CCOC(C1)CO TS59577 [1,0,0,1,0,0|1,0,0]=3 865 B8R1.2 C1CCOC(C1)ON TS59328 [1,0,0,1,0,0|2,0,0]=4 866 B8R1.2 C1CN(CCN1)CO TS04601 [1,0,0,1,0,0|2,0,0]=4 867 B8R1.2 C1CNCCC1CF TS86720 [1,0,0,1,0,0|2,0,0]=4 868 B8R1.2 C1CNCCC1CN TS16890 [1,0,0,1,0,0|2,0,0]=4 869 B8R1.2 C1CNCCC1CO TS85529 [1,0,0,1,0,0|1,0,0]=3 870 B8R1.2 C1CN[C@@H](CN1)CO TS50857 [1,0,0,1,0,0|2,0,0]=4 871 B8R1.2 C1COC(CN1)CN TS86947 [1,0,0,1,0,0|2,0,0]=4 872 B8R1.2 C1COC(CN1)CO TS55399 [1,0,0,1,0,0|2,0,0]=4 873 B8R1.2 C1COC(CO1)CI TS52574 [1,0,0,1,0,0|2,0,0]=4 874 B8R1.2 C1COC(CO1)CN TS08685 [1,0,0,1,0,0|2,0,0]=4 875 B8R1.2 C1COCC(N1)CO TS02790 [1,0,0,1,0,0|2,0,0]=4 876 B8R1.2 C1COCC(N1)CO TS41317 [1,0,0,1,0,0|2,0,0]=4 877 B8R1.2 C1COCCC1CBr TS16902 [1,0,0,1,0,0|2,0,0]=4 878 B8R1.2 C1COCCC1CI TS24100 [1,0,0,1,0,0|2,0,0]=4 879 B8R1.2 C1COCCC1CN TS03003 [1,0,0,1,0,0|2,0,0]=4 880 B8R1.2 C1COCCC1CN TS07685 [1,0,0,1,0,0|2,0,0]=4 881 B8R1.2 C1COCCC1CO TS59440 [1,0,0,1,0,0|1,0,0]=3 882 B8R1.2 C1COC[C@@H](N1)CO TS41310 [1,0,0,1,0,0|2,0,0]=4 883 B8R1.2 C1COC[C@H](N1)CO TS32280 [1,0,0,1,0,0|2,0,0]=4 884 B8R1.2 C1CO[C@@H](CN1)CO TS32281 [1,0,0,1,0,0|2,0,0]=4 885 B8R1.2 C1CO[C@H](CN1)CO TS46590 [1,0,0,1,0,0|2,0,0]=4 886 B8R1.2 C1CSCCC1CN TS91963 [1,0,0,1,0,0|2,0,0]=4 887 B8R1.2 C1CSCCC1CO TS90016 [1,0,0,1,0,0|1,0,0]=3 888 B8R1.2 C1C[C@@H](CNC1)CO TS46642 [1,0,0,1,0,0|1,0,0]=3 889 B8R1.2 C1C[C@H](CNC1)CO TS46591 [1,0,0,1,0,0|1,0,0]=3 890 B8R1.2 CCC1=CCCCC1 TS31842 [1,0,0,1,0,0|0,0,2]=4 891 B8R1.2 CCC1CCCCC1 TS04342 [1,0,0,1,0,0|0,0,0]=2 892 B8R1.2 CCC1CCCCN1 TS04398 [1,0,0,1,0,0|1,0,0]=3 893 B8R1.2 CCC1CNCCN1 TS55315 [1,0,0,1,0,0|2,0,0]=4 894 B8R1.2 CCN1CCCCC1 TS00439 [1,0,0,1,0,0|1,0,0]=3 895 B8R1.2 CCN1CCCCC1 TS32031 [1,0,0,1,0,0|1,0,0]=3 896 B8R1.2 CCN1CCNCC1 TS04487 [1,0,0,1,0,0|2,0,0]=4 897 B8R1.2 CCN1CCOCC1 TS32166 [1,0,0,1,0,0|2,0,0]=4 898 B8R1.2 CC[C@@H]1CNCCN1 TS04491 [1,0,0,1,0,0|2,0,0]=4 899 B8R1.2 CC[C@@H]1CNCCN1 TS49029 [1,0,0,1,0,0|2,0,0]=4 900 B8R1.2 CNC1CCCCC1 TS08095 [1,0,0,1,0,0|1,0,0]=3 901 B8R1.2 CNC1CCCNC1 TS77173 [1,0,0,1,0,0|2,0,0]=4 902 B8R1.2 CNC1CCOCC1 TS01608 [1,0,0,1,0,0|2,0,0]=4 903 B8R1.2 CNC1CCOCC1 TS41077 [1,0,0,1,0,0|2,0,0]=4 904 B8R1.2 COC1CCCCC1 TS32092 [1,0,0,1,0,0|1,0,0]=3 905 B8R1.2 COC1CCCNC1 TS86602 [1,0,0,1,0,0|2,0,0]=4 906 B8R1.2 COC1CCNCC1 TS03162 [1,0,0,1,0,0|2,0,0]=4 907 B8R1.2 COC1CCNCC1 TS10095 [1,0,0,1,0,0|2,0,0]=4 908 B8R1.2 CO[C@@H]1CCCNC1 TS90956 [1,0,0,1,0,0|2,0,0]=4 909 B8R1.2 CO[C@@H]1CCCNC1 TS90967 [1,0,0,1,0,0|2,0,0]=4 910 B8R1.2 CO[C@H]1CCCNC1 TS86418 [1,0,0,1,0,0|2,0,0]=4 911 B8R1.2 CO[C@H]1CCCNC1 TS90968 [1,0,0,1,0,0|2,0,0]=4 912 B8R1.2 CSC1CCCCC1 TS05616 [1,0,0,1,0,0|1,0,0]=3 913 B8R1.2 CSC1CCNCC1 TS88660 [1,0,0,1,0,0|2,0,0]=4 914 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [1,0,0,1,0,0|1,0,1]=4 915 B8R1.5 C1CCC(=O)C(C1)O TS32072 [1,0,0,1,0,0|1,0,1]=4 916 B8R1.5 C1CCC(C(C1)Br)Br TS26769 [1,0,0,1,0,0|2,0,0]=4 917 B8R1.5 C1CCC(C(C1)F)Br TS48027 [1,0,0,1,0,0|2,0,0]=4 918 B8R1.5 C1CCC(C(C1)N)N TS21352 [1,0,0,1,0,0|2,0,0]=4 919 B8R1.5 C1CCC(C(C1)N)N TS67173 [1,0,0,1,0,0|2,0,0]=4 920 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [1,0,0,1,0,0|1,0,0]=3 921 B8R1.5 C1CCC(C(C1)O)O TS32216 [1,0,0,1,0,0|1,0,0]=3 922 B8R1.5 C1CC[C@@H]([C@@H](C1)Cl)Cl TS10277 [1,0,0,1,0,0|2,0,0]=4 923 B8R1.5 C1CC[C@@H]([C@@H](C1)N)N TS04490 [1,0,0,1,0,0|2,0,0]=4 924 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [1,0,0,1,0,0|1,0,0]=3 925 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS07988 [1,0,0,1,0,0|2,0,0]=4 926 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS22908 [1,0,0,1,0,0|2,0,0]=4 927 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS93093 [1,0,0,1,0,0|2,0,0]=4 928 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [1,0,0,1,0,0|1,0,0]=3 929 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [1,0,0,1,0,0|1,0,0]=3 930 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br TS26767 [1,0,0,1,0,0|2,0,0]=4 931 B8R1.5 C1CC[C@H]([C@@H](C1)Cl)Cl TS10275 [1,0,0,1,0,0|2,0,0]=4 932 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS01623 [1,0,0,1,0,0|2,0,0]=4 933 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS09980 [1,0,0,1,0,0|2,0,0]=4 934 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93516 [1,0,0,1,0,0|2,0,0]=4 935 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93952 [1,0,0,1,0,0|2,0,0]=4 936 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [1,0,0,1,0,0|1,0,0]=3 937 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [1,0,0,1,0,0|1,0,0]=3 938 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [1,0,0,1,0,0|1,0,0]=3 939 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [1,0,0,1,0,0|1,0,0]=3 940 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [1,0,0,1,0,0|1,0,0]=3 941 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [1,0,0,1,0,0|1,0,0]=3 942 B8R1.5 C1CNC[C@H]([C@@H]1F)O TS90614 [1,0,0,1,0,0|2,0,0]=4 943 B8R1.5 C1CNC[C@H]([C@@H]1O)F TS92239 [1,0,0,1,0,0|2,0,0]=4 944 B8R1.5 C1CNC[C@H]([C@H]1O)F TS92722 [1,0,0,1,0,0|2,0,0]=4 945 B8R1.5 C1COC[C@@H]([C@H]1O)N TS88734 [1,0,0,1,0,0|2,0,0]=4 946 B8R1.5 C1COC[C@H]([C@@H]1N)O TS89107 [1,0,0,1,0,0|2,0,0]=4 947 B8R1.5 C1COC[C@H]([C@@H]1O)N TS90817 [1,0,0,1,0,0|2,0,0]=4 948 B8R1.5 C1COC[C@H]([C@H]1N)O TS90200 [1,0,0,1,0,0|2,0,0]=4 949 B8R1.5 CC1=C(CCCC1)C TS31858 [1,0,0,1,0,0|0,0,2]=4 950 B8R1.5 CC1CCCC=C1C TS31849 [1,0,0,1,0,0|0,0,2]=4 951 B8R1.5 CC1CCCCC1=C TS31851 [1,0,0,1,0,0|0,0,2]=4 952 B8R1.5 CC1CCCCC1=O TS01136 [1,0,0,1,0,0|0,0,2]=4 953 B8R1.5 CC1CCCCC1C TS31973 [1,0,0,1,0,0|0,0,0]=2 954 B8R1.5 CC1CCCCC1N TS32030 [1,0,0,1,0,0|1,0,0]=3 955 B8R1.5 CC1CCCCC1O TS32109 [1,0,0,1,0,0|0,0,0]=2 956 B8R1.5 CC1CCCNC1C TS22984 [1,0,0,1,0,0|1,0,0]=3 957 B8R1.5 CC1CCNCC1O TS92278 [1,0,0,1,0,0|1,0,0]=3 958 B8R1.5 CC1CNCCC1O TS03118 [1,0,0,1,0,0|1,0,0]=3 959 B8R1.5 CC1CNCCN1C TS00350 [1,0,0,1,0,0|2,0,0]=4 960 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [1,0,0,1,0,0|0,0,0]=2 961 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [1,0,0,1,0,0|1,0,0]=3 962 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [1,0,0,1,0,0|0,0,0]=2 963 B8R1.5 C[C@@H]1CCNC[C@@H]1O TS92055 [1,0,0,1,0,0|1,0,0]=3 964 B8R1.5 C[C@@H]1CCNC[C@H]1O TS85847 [1,0,0,1,0,0|1,0,0]=3 965 B8R1.5 C[C@@H]1CCNC[C@H]1O TS92197 [1,0,0,1,0,0|1,0,0]=3 966 B8R1.5 C[C@@H]1COCC[C@@H]1N TS87953 [1,0,0,1,0,0|2,0,0]=4 967 B8R1.5 C[C@@H]1COCC[C@H]1N TS90201 [1,0,0,1,0,0|2,0,0]=4 968 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [1,0,0,1,0,0|0,0,0]=2 969 B8R1.5 C[C@H]1CCNC[C@H]1O TS92848 [1,0,0,1,0,0|1,0,0]=3 970 B8R1.8 C#CCC1CCCC1 TS04146 [1,0,0,1,0,0|0,0,2]=4 971 B8R1.8 C1CC(NC1)CCO TS91871 [1,0,0,1,0,0|1,0,0]=3 972 B8R1.8 C1CCC(C1)CCN TS00978 [1,0,0,1,0,0|1,0,0]=3 973 B8R1.8 C1CCC(C1)CCO TS04478 [1,0,0,1,0,0|0,0,0]=2 974 B8R1.8 C1CCN(C1)CCBr TS46380 [1,0,0,1,0,0|2,0,0]=4 975 B8R1.8 C1CCN(C1)CCN TS32117 [1,0,0,1,0,0|2,0,0]=4 976 B8R1.8 C1CCN(C1)CCO TS32173 [1,0,0,1,0,0|1,0,0]=3 977 B8R1.8 C1CNCC1CCO TS88089 [1,0,0,1,0,0|1,0,0]=3 978 B8R1.8 C1COC(O1)CCBr TS47043 [1,0,0,1,0,0|2,0,0]=4 979 B8R1.8 C1COC(O1)CCCl TS06134 [1,0,0,1,0,0|2,0,0]=4 980 B8R1.8 C1COC(O1)CCN TS39612 [1,0,0,1,0,0|2,0,0]=4 981 B8R1.8 C1COCN1CCO TS04674 [1,0,0,1,0,0|2,0,0]=4 982 B8R1.8 CCCC1CCCC1 TS31955 [1,0,0,1,0,0|0,0,0]=2 983 B8R1.8 CCCC1CCCC1 TS57165 [1,0,0,1,0,0|0,0,0]=2 984 B8R1.8 CCCC1CCCC1 TS67057 [1,0,0,1,0,0|0,0,0]=2 985 B8R1.8 CCCC1CCCC1 TS69588 [1,0,0,1,0,0|0,0,0]=2 986 B8R1.8 CCCC1CCCC1 TS69915 [1,0,0,1,0,0|0,0,0]=2 987 B8R1.8 CCCC1CCCC1 TS72093 [1,0,0,1,0,0|0,0,0]=2 988 B8R1.8 CCCC1CCCC1 TS72534 [1,0,0,1,0,0|0,0,0]=2 989 B8R1.8 CCCC1CCCC1 TS81524 [1,0,0,1,0,0|0,0,0]=2 990 B8R1.8 CCCC1CCCC1 TS82572 [1,0,0,1,0,0|0,0,0]=2 991 B8R1.8 CCCC1CCCC1 TS82652 [1,0,0,1,0,0|0,0,0]=2 992 B8R1.8 CCNC1CCNC1 TS04484 [1,0,0,1,0,0|2,0,0]=4 993 B8R1.8 CCN[C@@H]1CCNC1 TS04494 [1,0,0,1,0,0|2,0,0]=4 994 B8R1.8 CCN[C@H]1CCNC1 TS04485 [1,0,0,1,0,0|2,0,0]=4 995 B8R1.8 CCOC1CCCO1 TS04591 [1,0,0,1,0,0|1,0,0]=3 996 B8R1.8 CCO[C@@H]1CCNC1 TS85740 [1,0,0,1,0,0|2,0,0]=4 997 B8R1.8 CCO[C@H]1CCNC1 TS90259 [1,0,0,1,0,0|2,0,0]=4 998 B8R1.8 CNCC1CCCO1 TS32151 [1,0,0,1,0,0|1,0,0]=3 999 B8R1.8 COCC1CCCN1 TS32164 [1,0,0,1,0,0|2,0,0]=4 1000 B8R1.8 COCC1CCCO1 TS04584 [1,0,0,1,0,0|1,0,0]=3 1001 B8R1.8 COCC1CCNC1 TS87730 [1,0,0,1,0,0|2,0,0]=4 1002 B8R1.8 COC[C@@H]1CCCN1 TS32165 [1,0,0,1,0,0|2,0,0]=4 1003 B8R1.8 COC[C@@H]1CCNC1 TS91884 [1,0,0,1,0,0|2,0,0]=4 1004 B8R1.8 COC[C@H]1CCCN1 TS32345 [1,0,0,1,0,0|2,0,0]=4 1005 B8R1.8 COC[C@H]1CCNC1 TS91991 [1,0,0,1,0,0|2,0,0]=4 1006 B8R1.10 CCCNC1COC1 TS32160 [1,0,0,1,0,0|2,0,0]=4 1007 B8R1.10 CCCOC1CNC1 TS41075 [1,0,0,1,0,0|2,0,0]=4 1008 B8R1.11 C1CO[C@@H]([C@H]1O)CO TS32319 [1,0,0,1,0,0|2,0,0]=4 1009 B8R1.11 CCC1=C(CCC1)C TS04224 [1,0,0,1,0,0|0,0,2]=4 1010 B8R1.11 CCC1CCCC1=O TS31928 [1,0,0,1,0,0|0,0,2]=4 1011 B8R1.11 CCC1CCCC1C TS67055 [1,0,0,1,0,0|0,0,0]=2 1012 B8R1.11 CN1CCCC1CO TS46985 [1,0,0,1,0,0|1,0,0]=3 1013 B8R1.11 CN1CCC[C@@H]1CN TS88307 [1,0,0,1,0,0|2,0,0]=4 1014 B8R1.11 CN1CCC[C@@H]1CO TS87350 [1,0,0,1,0,0|1,0,0]=3 1015 B8R1.11 CN1CCC[C@H]1CN TS91663 [1,0,0,1,0,0|2,0,0]=4 1016 B8R1.11 CN1CCC[C@H]1CO TS18151 [1,0,0,1,0,0|1,0,0]=3 1017 B8R1.11 CO[C@@H]1CNC[C@H]1O TS88618 [1,0,0,1,0,0|2,0,0]=4 1018 B8R1.11 C[C@@H]1CNC[C@H]1CO TS32158 [1,0,0,1,0,0|1,0,0]=3 1019 B8R1.12 C1C[C@H]([C@@H]1CN)CN TS80941 [1,0,0,1,0,0|2,0,0]=4 1020 B8R1.22 C1CC(CCNC1)F TS91335 [1,0,0,1,0,0|2,0,0]=4 1021 B8R1.22 C1CC(CCNC1)N TS04492 [1,0,0,1,0,0|2,0,0]=4 1022 B8R1.22 C1CC(CCNC1)O TS01362 [1,0,0,1,0,0|1,0,0]=3 1023 B8R1.22 C1CCC(=O)OCC1 TS59735 [1,0,0,1,0,0|1,0,1]=4 1024 B8R1.22 C1CCCC(=O)CC1 TS31926 [1,0,0,1,0,0|0,0,2]=4 1025 B8R1.22 C1CCCC(CC1)Br TS46223 [1,0,0,1,0,0|1,0,0]=3 1026 B8R1.22 C1CCCC(CC1)Cl TS36739 [1,0,0,1,0,0|1,0,0]=3 1027 B8R1.22 C1CCCC(CC1)N TS04399 [1,0,0,1,0,0|1,0,0]=3 1028 B8R1.22 C1CCCC(CC1)O TS04470 [1,0,0,1,0,0|0,0,0]=2 1029 B8R1.22 C1CCCN(CC1)N TS04497 [1,0,0,1,0,0|2,0,0]=4 1030 B8R1.22 C1CCNCC(C1)N TS07845 [1,0,0,1,0,0|2,0,0]=4 1031 B8R1.22 CC1=CCCCCC1 TS04216 [1,0,0,1,0,0|0,0,2]=4 1032 B8R1.22 CC1CCCCCC1 TS04339 [1,0,0,1,0,0|0,0,0]=2 1033 B8R1.22 CC1OCCCCO1 TS32214 [1,0,0,1,0,0|1,0,0]=3 1034 B8R1.22 CN1CCCCCC1 TS32032 [1,0,0,1,0,0|1,0,0]=3 1035 B8R1.22 CN1CCCNCC1 TS00463 [1,0,0,1,0,0|2,0,0]=4 1036 B8R1.36 C1C(O1)CCCCBr TS33001 [1,0,0,1,0,0|1,0,0]=3 1037 B8R1.36 CCCCCC1CO1 TS04480 [1,0,0,1,0,0|0,0,0]=2 1038 B8R1.36 CCCCC[C@@H]1CO1 TS32099 [1,0,0,1,0,0|0,0,0]=2 1039 B8R1.36 CCCNCC1CC1 TS32029 [1,0,0,1,0,0|1,0,0]=3 1040 B8R1.36 CCCOCC1CO1 TS32209 [1,0,0,1,0,0|1,0,0]=3 1041 B8R1.49 C1CCCCCCC1 TS04358 [1,0,0,1,0,0|0,0,0]=2 1042 B8R1.49 C1CCCNCCC1 TS32033 [1,0,0,1,0,0|1,0,0]=3 1043 B8R1.49 C1COCOCCO1 TS04709 [1,0,0,1,0,0|2,0,0]=4 1044 B8R1.1 CCC1CCC(=O)C1 TS31941 [1,0,0,1,0,0|0,0,2]=4 1045 B8R1.1 CCC1CCC(=O)O1 TS04438 [1,0,0,1,0,0|1,0,1]=4 1046 B8R1.1 CCN1CCC(C1)O TS32153 [1,0,0,1,0,0|1,0,0]=3 1047 B8R1.4 C1CC(CC(C1)O)N TS65882 [1,0,0,1,0,0|1,0,0]=3 1048 B8R1.4 C1CC(CC(C1)O)O TS32206 [1,0,0,1,0,0|1,0,0]=3 1049 B8R1.4 CC1=CC(CCC1)O TS31949 [1,0,0,1,0,0|0,0,2]=4 1050 B8R1.4 CC1CC(CCN1)O TS85562 [1,0,0,1,0,0|1,0,0]=3 1051 B8R1.4 CC1CC(CCO1)O TS88683 [1,0,0,1,0,0|1,0,0]=3 1052 B8R1.4 CC1CC(CNC1)C TS65817 [1,0,0,1,0,0|2,0,0]=4 1053 B8R1.4 CC1CCCC(=C1)C TS48310 [1,0,0,1,0,0|1,0,1]=4 1054 B8R1.4 CC1CCCC(=O)O1 TS04447 [1,0,0,1,0,0|1,0,1]=4 1055 B8R1.4 CC1CCCC(C1)C TS04353 [1,0,0,1,0,0|1,0,0]=3 1056 B8R1.4 CC1CCCC(C1)C TS06754 [1,0,0,1,0,0|1,0,0]=3 1057 B8R1.4 CC1CCCC(N1)C TS00705 [1,0,0,1,0,0|1,0,0]=3 1058 B8R1.4 CC1CCNC(C1)C TS07699 [1,0,0,1,0,0|2,0,0]=4 1059 B8R1.4 CC1CCOC(O1)C TS32215 [1,0,0,1,0,0|1,0,0]=3 1060 B8R1.4 CC1CNCC(N1)C TS00704 [1,0,0,1,0,0|2,0,0]=4 1061 B8R1.4 CC1CNCC(O1)C TS32156 [1,0,0,1,0,0|1,0,0]=3 1062 B8R1.4 CN1CCCC(C1)N TS46440 [1,0,0,1,0,0|2,0,0]=4 1063 B8R1.4 CN1CCCC(C1)O TS32155 [1,0,0,1,0,0|1,0,0]=3 1064 B8R1.4 CN1CCC[C@@H](C1)N TS89342 [1,0,0,1,0,0|2,0,0]=4 1065 B8R1.4 CN1CCC[C@@H](C1)N TS90187 [1,0,0,1,0,0|2,0,0]=4 1066 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [1,0,0,1,0,0|1,0,0]=3 1067 B8R1.4 CN1CCC[C@H](C1)N TS91342 [1,0,0,1,0,0|2,0,0]=4 1068 B8R1.4 CN1CCC[C@H](C1)O TS90931 [1,0,0,1,0,0|1,0,0]=3 1069 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [1,0,0,1,0,0|0,0,2]=4 1070 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [1,0,0,1,0,0|1,0,1]=4 1071 B8R1.4 C[C@@H]1CCC[C@@H](N1)C TS55822 [1,0,0,1,0,0|1,0,0]=3 1072 B8R1.4 C[C@@H]1CNC[C@@H](O1)C TS90636 [1,0,0,1,0,0|1,0,0]=3 1073 B8R1.4 C[C@@H]1CNC[C@H](O1)C TS88923 [1,0,0,1,0,0|1,0,0]=3 1074 B8R1.4 C[C@@H]1COC[C@@H](N1)C TS88648 [1,0,0,1,0,0|2,0,0]=4 1075 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [1,0,0,1,0,0|1,0,0]=3 1076 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [1,0,0,1,0,0|1,0,0]=3 1077 B8R1.6 CCOC1CC(C1)N TS91949 [1,0,0,1,0,0|2,0,0]=4 1078 B8R1.6 CCO[C@H]1C[C@@H](C1)N TS92088 [1,0,0,1,0,0|2,0,0]=4 1079 B8R1.6 CCO[C@H]1C[C@H](C1)N TS92432 [1,0,0,1,0,0|2,0,0]=4 1080 B8R1.7 B(C1CCCC1)(O)O TS55826 [1,0,0,1,0,0|2,0,0]=4 1081 B8R1.7 C1CCC(C1)C(=O)O TS55824 [1,0,0,1,0,0|1,0,1]=4 1082 B8R1.7 CC(=O)C1CCCC1 TS46943 [1,0,0,1,0,0|0,0,2]=4 1083 B8R1.7 CC(=O)C1CCCC1 TS52586 [1,0,0,1,0,0|0,0,2]=4 1084 B8R1.7 CC(C)C1CCCC1 TS04356 [1,0,0,1,0,0|1,0,0]=3 1085 B8R1.7 CC(C)C1CCCC1 TS30326 [1,0,0,1,0,0|1,0,0]=3 1086 B8R1.7 CC(C)C1CCCC1 TS63820 [1,0,0,1,0,0|1,0,0]=3 1087 B8R1.7 CC(C)C1CCCC1 TS67054 [1,0,0,1,0,0|1,0,0]=3 1088 B8R1.7 CC(C)C1CCCC1 TS72215 [1,0,0,1,0,0|1,0,0]=3 1089 B8R1.7 CC(C)C1CCCC1 TS73878 [1,0,0,1,0,0|1,0,0]=3 1090 B8R1.7 CC(C)C1CCCC1 TS74314 [1,0,0,1,0,0|1,0,0]=3 1091 B8R1.7 CC(C)C1CCCC1 TS82611 [1,0,0,1,0,0|1,0,0]=3 1092 B8R1.7 CC(C)C1CCCC1 TS82651 [1,0,0,1,0,0|1,0,0]=3 1093 B8R1.7 CC(C1CCCC1)O TS04475 [1,0,0,1,0,0|0,0,0]=2 1094 B8R1.19 CC1CCCC1(C)O TS32102 [1,0,0,1,0,0|0,0,0]=2 1095 B8R1.34 C1CC(C1)CC(=O)O TS32065 [1,0,0,1,0,0|1,0,1]=4 1096 B8R1.35 C1CC1CCC(=O)O TS04433 [1,0,0,1,0,0|1,0,1]=4 1097 B8R1.72 C1CCC(CC1)(F)F TS32422 [1,0,0,1,0,0|2,0,0]=4 1098 B8R1.72 CC1(CCCCC1)O TS32093 [1,0,0,1,0,0|0,0,0]=2 1099 B8R1.72 CC1(CCCNC1)C TS04397 [1,0,0,1,0,0|2,0,0]=4 1100 B8R1.72 CC1(CCCNC1)C TS40807 [1,0,0,1,0,0|2,0,0]=4 1101 B8R1.72 CC1(CCCNC1)O TS91215 [1,0,0,1,0,0|1,0,0]=3 1102 B8R1.72 CC1(CCNCC1)C TS09562 [1,0,0,1,0,0|2,0,0]=4 1103 B8R1.72 CC1(CCNCC1)C TS86526 [1,0,0,1,0,0|2,0,0]=4 1104 B8R1.72 CC1(CCNCC1)O TS85719 [1,0,0,1,0,0|1,0,0]=3 1105 B8R1.72 CC1(CCNCC1)O TS91244 [1,0,0,1,0,0|1,0,0]=3 1106 B8R1.72 CC1(CCOCC1)N TS88636 [1,0,0,1,0,0|2,0,0]=4 1107 B8R1.72 C[N+]1(CCCCC1)C TS40805 [1,0,0,1,0,0|2,0,0]=4 1108 B8R1.72 C[Si]1(CCCCC1)C TS36373 [1,0,0,1,0,0|1,1,0]=4 1109 B10R1.13 C1CC(CCC1C(=O)O)N TS02990 [0,1,0,1,0,0|1,0,1]=4 1110 B10R1.13 C1CC(CCC1C(=O)O)O TS06943 [0,1,0,1,0,0|1,0,1]=4 1111 B10R1.13 C1[C@@H](CC[C@@H](C1)N)C(=O)O TS39836 [0,1,0,1,0,0|1,0,1]=4 1112 B10R1.13 C1[C@@H](CC[C@H](C1)N)C(=O)O TS88414 [0,1,0,1,0,0|1,0,1]=4 1113 B10R1.13 C1[C@@H](CC[C@H](C1)O)C(=O)O TS40167 [0,1,0,1,0,0|1,0,1]=4 1114 B10R1.13 CC(C)C1CCC(=O)CC1 TS37407 [0,1,0,1,0,0|1,0,1]=4 1115 B10R1.13 CC(C)C1CCC(CC1)O TS06750 [0,1,0,1,0,0|1,0,0]=3 1116 B10R1.13 CC(C)N1CCC(CC1)N TS44661 [0,1,0,1,0,0|2,0,0]=4 1117 B10R1.13 CC(C)N1CCC(CC1)N TS46974 [0,1,0,1,0,0|2,0,0]=4 1118 B10R1.13 CC(C)N1CCC(CC1)O TS46975 [0,1,0,1,0,0|2,0,0]=4 1119 B10R1.13 CC1CCC(CC1)C(C)C TS06537 [0,1,0,1,0,0|1,0,0]=3 1120 B10R1.13 CN(C)C1CCC(CC1)N TS56354 [0,1,0,1,0,0|2,0,0]=4 1121 B10R1.13 CN(C)C1CCC(CC1)O TS40113 [0,1,0,1,0,0|2,0,0]=4 1122 B10R1.13 C[C@H]1CC[C@@H](CC1)C(C)C TS06530 [0,1,0,1,0,0|1,0,0]=3 1123 B10R1.13 C[C@H]1CC[C@H](CC1)C(C)C TS06533 [0,1,0,1,0,0|1,0,0]=3 1124 B10R1.54 CC1COC(O1)CC(C)C TS06987 [0,1,0,1,0,0|1,0,0]=3 1125 B10R1.79 C1CC(CCCC(=O)C1)O TS06698 [0,1,0,1,0,0|0,0,1]=3 1126 B10R1.350 CC1(CC1)CCCC(=O)O TS37600 [0,1,0,1,0,0|1,0,1]=4 1127 B10R1.10 CCCC1CCOC(S1)C TS42225 [0,1,0,1,0,0|0,1,0]=3 1128 B10R1.10 CN1CCCC(C1)CCN TS91277 [0,1,0,1,0,0|2,0,0]=4 1129 B10R1.10 CN1CCCC(C1)CCO TS88659 [0,1,0,1,0,0|2,0,0]=4 1130 B10R1.16 CCCCC1CCC(=O)O1 TS37606 [0,1,0,1,0,0|1,0,1]=4 1131 B10R1.16 CCCCC1CCC(C1)C TS59743 [0,1,0,1,0,0|1,0,0]=3 1132 B10R1.18 C1CC(CNC1)CC(=O)O TS14484 [0,1,0,1,0,0|1,0,1]=4 1133 B10R1.18 C1CC(CNC1)CC(=O)O TS86609 [0,1,0,1,0,0|1,0,1]=4 1134 B10R1.18 C1CCC(CC1)CC(=O)O TS06711 [0,1,0,1,0,0|1,0,1]=4 1135 B10R1.18 C1CCN(CC1)CC(=O)O TS06867 [0,1,0,1,0,0|1,0,1]=4 1136 B10R1.18 C1CCOC(C1)CC(=O)O TS60188 [0,1,0,1,0,0|1,0,1]=4 1137 B10R1.18 C1CNCCC1CC(=O)O TS87660 [0,1,0,1,0,0|1,0,1]=4 1138 B10R1.18 C1COCCC1CC(=O)O TS02099 [0,1,0,1,0,0|1,0,1]=4 1139 B10R1.18 CC(=C)CC1CCCCC1 TS06328 [0,1,0,1,0,0|1,0,1]=4 1140 B10R1.18 CC(=O)CC1CCCCC1 TS06510 [0,1,0,1,0,0|0,0,2]=4 1141 B10R1.18 CC(=O)OC1CCCCC1 TS37599 [0,1,0,1,0,0|0,0,2]=4 1142 B10R1.18 CC(C)CC1CCCCC1 TS06527 [0,1,0,1,0,0|1,0,0]=3 1143 B10R1.18 CC(C)CC1CNCCN1 TS44659 [0,1,0,1,0,0|2,0,0]=4 1144 B10R1.18 CC(C)CN1CCNCC1 TS93864 [0,1,0,1,0,0|2,0,0]=4 1145 B10R1.18 CC(C)CN1CCOCC1 TS40105 [0,1,0,1,0,0|2,0,0]=4 1146 B10R1.18 CC(C)C[C@@H]1CNCCN1 TS37648 [0,1,0,1,0,0|2,0,0]=4 1147 B10R1.18 CC(C)NC1CCCCC1 TS37519 [0,1,0,1,0,0|1,0,0]=3 1148 B10R1.18 CC(C)NC1CCOCC1 TS40116 [0,1,0,1,0,0|2,0,0]=4 1149 B10R1.18 CC(C)OC1CCNCC1 TS40115 [0,1,0,1,0,0|2,0,0]=4 1150 B10R1.18 CC(CN1CCCCC1)N TS06770 [0,1,0,1,0,0|1,0,0]=3 1151 B10R1.18 CC(CN1CCCCC1)O TS40106 [0,1,0,1,0,0|0,0,0]=2 1152 B10R1.18 CC(CN1CCOCC1)O TS07104 [0,1,0,1,0,0|1,0,0]=3 1153 B10R1.18 CC(CN1CCSCC1)O TS11445 [0,1,0,1,0,0|1,0,0]=3 1154 B10R1.18 CN(C)CC1CCCCC1 TS37520 [0,1,0,1,0,0|2,0,0]=4 1155 B10R1.18 CN(C)CC1CCCNC1 TS37645 [0,1,0,1,0,0|2,0,0]=4 1156 B10R1.18 CN(C)C[C@@H]1CCCNC1 TS37653 [0,1,0,1,0,0|2,0,0]=4 1157 B10R1.39 CC(C)N1CCCC1CN TS37665 [0,1,0,1,0,0|2,0,0]=4 1158 B10R1.61 C1CCC(C(C1)C(=O)O)N TS06859 [0,1,0,1,0,0|1,0,1]=4 1159 B10R1.61 C1CCC(C(C1)C(=O)O)O TS16698 [0,1,0,1,0,0|1,0,1]=4 1160 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N TS40083 [0,1,0,1,0,0|1,0,1]=4 1161 B10R1.61 C1CC[C@H]([C@H](C1)C(=O)O)N TS14483 [0,1,0,1,0,0|1,0,1]=4 1162 B10R1.61 CC(C)C1CCCCC1=O TS06491 [0,1,0,1,0,0|1,0,1]=4 1163 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N TS37658 [0,1,0,1,0,0|2,0,0]=4 1164 B10R1.61 CN(C)[C@@H]1CCCC[C@H]1N TS94591 [0,1,0,1,0,0|2,0,0]=4 1165 B10R1.61 CN1CCCCC1C(=O)O TS08695 [0,1,0,1,0,0|1,0,1]=4 1166 B10R1.64 CC(C)CC1CCCC1=O TS06505 [0,1,0,1,0,0|1,0,1]=4 1167 B10R1.66 C1CCC(C1)CCC(=O)O TS37610 [0,1,0,1,0,0|1,0,1]=4 1168 B10R1.66 C1CCC(C1)NCC(=O)O TS64976 [0,1,0,1,0,0|1,0,1]=4 1169 B10R1.66 C1CCN(C1)CCC(=O)O TS06860 [0,1,0,1,0,0|1,0,1]=4 1170 B10R1.66 CN(C)CCC1CCCN1 TS37663 [0,1,0,1,0,0|2,0,0]=4 1171 B10R1.177 CCCCCOC[C@H]1CO1 TS06975 [0,1,0,1,0,0|0,0,0]=2 1172 B10R1.295 CC1(CCCCCCC1)O TS06744 [0,1,0,1,0,0|0,0,0]=2 1173 B10R1.348 C1CC(CCNC1)C(=O)O TS86816 [0,1,0,1,0,0|1,0,1]=4 1174 B10R1.348 C1CCCC(CC1)C(=O)O TS01402 [0,1,0,1,0,0|1,0,1]=4 1175 B10R1.348 CC(=C1CCCCCC1)C TS37233 [0,1,0,1,0,0|1,0,1]=4 1176 B10R1.8 CCC1OC(OC(O1)C)C TS07213 [0,1,0,1,0,0|2,0,0]=4 1177 B10R1.28 CC(C)(C)C1CCNCC1 TS14121 [0,1,0,1,0,0|2,0,0]=4 1178 B10R1.28 CC(C)(C1CCNCC1)O TS86618 [0,1,0,1,0,0|1,0,0]=3 1179 B10R1.28 C[Si](C)(C1CCCCC1)Cl TS46210 [0,1,0,1,0,0|1,1,0]=4 1180 B10R1.28 C[Si](C1CCCCC1)(Cl)Cl TS18428 [0,1,0,1,0,0|1,1,0]=4 1181 B10R1.95 CC1(OCC(O1)CCO)C TS40423 [0,1,0,1,0,0|2,0,0]=4 1182 B10R1.95 CC1(OC[C@@H](O1)CCO)C TS46557 [0,1,0,1,0,0|2,0,0]=4 1183 B10R1.95 CC1(OC[C@H](O1)CCO)C TS22964 [0,1,0,1,0,0|2,0,0]=4 1184 B10R1.281 CC(C)(CN1CCCC1)N TS37664 [0,1,0,1,0,0|2,0,0]=4 1185 B10R1.1 C1CN(CCC1O)CCN TS06998 [0,1,0,1,0,0|2,0,0]=4 1186 B10R1.1 CCCC1CCC(=O)CC1 TS06490 [0,1,0,1,0,0|0,0,2]=4 1187 B10R1.1 CCCC1CCC(CC1)O TS37640 [0,1,0,1,0,0|0,0,0]=2 1188 B10R1.2 C1[C@@H]([C@H]([C@@H](CN1)O)O)CO TS48481 [0,1,0,1,0,0|2,0,0]=4 1189 B10R1.7 C1CCCC(=O)C(CC1)Cl TS11339 [0,1,0,1,0,0|0,0,2]=4 1190 B10R1.7 C1CCC[C@@H]([C@@H](CC1)O)O TS06988 [0,1,0,1,0,0|0,0,0]=2 1191 B10R1.7 C1CCC[C@@H]([C@H](CC1)O)O TS40198 [0,1,0,1,0,0|0,0,0]=2 1192 B10R1.7 C1CCC[C@H]([C@@H](CC1)O)O TS40209 [0,1,0,1,0,0|0,0,0]=2 1193 B10R1.15 C1CCC(CC1)C(=O)CBr TS55069 [0,1,0,1,0,0|0,0,2]=4 1194 B10R1.15 C1CCC(CC1)[C@H](CO)N TS40098 [0,1,0,1,0,0|1,0,0]=3 1195 B10R1.15 C=CC(C1CCCCC1)O TS37414 [0,1,0,1,0,0|0,0,1]=3 1196 B10R1.15 CC(CN)N1CCCCC1 TS37661 [0,1,0,1,0,0|2,0,0]=4 1197 B10R1.15 CC(CO)C1CCCCC1 TS06740 [0,1,0,1,0,0|0,0,0]=2 1198 B10R1.15 CCC(=O)C1CCCCC1 TS06498 [0,1,0,1,0,0|0,0,2]=4 1199 B10R1.15 CCC(C)C1CCCCC1 TS06524 [0,1,0,1,0,0|1,0,0]=3 1200 B10R1.15 COC(=O)C1CCCCC1 TS37591 [0,1,0,1,0,0|0,0,2]=4 1201 B10R1.27 C1CCN(C1)CC(CO)O TS07106 [0,1,0,1,0,0|1,0,0]=3 1202 B10R1.27 CC(CC1CCCC1)NC TS37516 [0,1,0,1,0,0|1,0,0]=3 1203 B10R1.27 CC(CN1CCCC1)CO TS40102 [0,1,0,1,0,0|1,0,0]=3 1204 B10R1.161 C1CCCC(=NO)CCC1 TS06606 [0,1,0,1,0,0|0,0,1]=3 1205 B10R1.161 C1CCCC(CCC1)C=O TS06515 [0,1,0,1,0,0|0,0,1]=3 1206 B10R1.161 C1CCCC(CCC1)CI TS63089 [0,1,0,1,0,0|1,0,0]=3 1207 B10R1.161 C1CCCC(CCC1)CN TS37522 [0,1,0,1,0,0|1,0,0]=3 1208 B10R1.161 C1CCCC(CCC1)NN TS14313 [0,1,0,1,0,0|1,0,0]=3 1209 B10R1.161 C1CCCN(CCC1)N=O TS06728 [0,1,0,1,0,0|1,0,1]=4 1210 B10R1.161 COC1=CCCCCCC1 TS06514 [0,1,0,1,0,0|0,0,2]=4 1211 B10R1.172 C1CC(CC(C1)CN)CN TS37655 [0,1,0,1,0,0|2,0,0]=4 1212 B10R1.172 CCN1CCCC(=NO)C1 TS47647 [0,1,0,1,0,0|1,0,1]=4 1213 B10R1.230 CC1(CCCCC1=O)NO TS14487 [0,1,0,1,0,0|1,0,1]=4 1214 B10R1.230 CCC1(CCCCC1C)O TS06763 [0,1,0,1,0,0|0,0,0]=2 1215 B10R1.232 C#CC1(CCCCCC1)O TS37209 [0,1,0,1,0,0|0,0,1]=3 1216 B10R1.232 C1CCCC(CC1)(CN)O TS01989 [0,1,0,1,0,0|0,0,0]=2 1217 B10R1.23 C1CCC(C1)C(C(=O)O)N TS06856 [0,1,0,1,0,0|1,0,1]=4 1218 B10R1.23 C1CCC(C1)[C@@H](C(=O)O)N TS01519 [0,1,0,1,0,0|1,0,1]=4 1219 B10R1.23 C1CCC(C1)[C@H](C(=O)O)N TS06852 [0,1,0,1,0,0|1,0,1]=4 1220 B10R1.113 C1CC(CC(C1)N)C(=O)O TS65881 [0,1,0,1,0,0|1,0,1]=4 1221 B10R1.113 CC1CCCC(N1)C(=O)O TS39361 [0,1,0,1,0,0|1,0,1]=4 1222 B10R1.113 CN(C)C1CCCC(C1)N TS37660 [0,1,0,1,0,0|2,0,0]=4 1223 B10R1.204 C1CC(C1)CC(C(=O)O)N TS40084 [0,1,0,1,0,0|1,0,1]=4 1224 B10R1.204 C1CC(C1)C[C@H](C(=O)O)N TS06869 [0,1,0,1,0,0|1,0,1]=4 1225 B10R1.262 CCOC1CC(C1(C)C)N TS92774 [0,1,0,1,0,0|2,0,0]=4 1226 B10R1.363 C1CCC(CC1)(C(=O)O)N TS01999 [0,1,0,1,0,0|1,0,1]=4 1227 B10R1.363 C1CCC(CC1)(C(=O)O)N TS14491 [0,1,0,1,0,0|1,0,1]=4 1228 B10R1.363 C1CCC(CC1)(C(=O)O)O TS06951 [0,1,0,1,0,0|1,0,1]=4 1229 B10R1.363 CC(=O)C1(CCCCC1)O TS37611 [0,1,0,1,0,0|0,0,2]=4 1230 B10R1.363 CC1(CCCCC1)C(=O)O TS06707 [0,1,0,1,0,0|1,0,1]=4 1231 B10R1.138 CCCC(=O)OCC1CO1 TS33238 [0,1,0,1,0,0|1,0,1]=4 1232 B10R1.138 CCCC(=O)OC[C@@H]1CO1 TS64979 [0,1,0,1,0,0|1,0,1]=4 1233 B10R1.138 CCCC(=O)OC[C@H]1CO1 TS32842 [0,1,0,1,0,0|1,0,1]=4 1234 B10R1.140 CCOC(=O)C1CC(C1)O TS85679 [0,1,0,1,0,0|1,0,1]=4 1235 B10R2.61 C1CC2CC(C(C1)N2)O TS92636 [0,0,0,2,0,0|1,0,0]=3 1236 B10R2.61 C1C[C@@H]2C[C@@H]([C@H](C1)N2)O TS92840 [0,0,0,2,0,0|1,0,0]=3 1237 B10R2.61 C1C[C@@H]2C[C@H]([C@H](C1)N2)O TS92847 [0,0,0,2,0,0|1,0,0]=3 1238 B10R2.62 C1CC2C(CC1CN2)O TS92352 [0,0,0,2,0,0|1,0,0]=3 1239 B10R2.62 C1CN2CCC1C(C2)Cl TS48180 [0,0,0,2,0,0|2,0,0]=4 1240 B10R2.62 C1CN2CCC1C(C2)N TS39298 [0,0,0,2,0,0|2,0,0]=4 1241 B10R2.62 C1CN2CCC1C(C2)O TS39308 [0,0,0,2,0,0|1,0,0]=3 1242 B10R2.62 C1CN2CCC1[C@@H](C2)N TS46662 [0,0,0,2,0,0|2,0,0]=4 1243 B10R2.62 C1CN2CCC1[C@@H](C2)N TS94816 [0,0,0,2,0,0|2,0,0]=4 1244 B10R2.62 C1CN2CCC1[C@H](C2)O TS93601 [0,0,0,2,0,0|1,0,0]=3 1245 B10R2.62 C1[C@H]2[C@@H](CN(C1)CC2)O TS00216 [0,0,0,2,0,0|1,0,0]=3 1246 B10R2.62 C1[C@H]2[C@H](CN(C1)CC2)N TS08081 [0,0,0,2,0,0|2,0,0]=4 1247 B10R2.62 C1[C@H]2[C@H](CN(C1)CC2)O TS46608 [0,0,0,2,0,0|1,0,0]=3 1248 B10R2.71 C1CC2CC(=O)CC1O2 TS92514 [0,0,0,2,0,0|1,0,1]=4 1249 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)F TS86218 [0,0,0,2,0,0|2,0,0]=4 1250 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O TS87301 [0,0,0,2,0,0|1,0,0]=3 1251 B10R2.71 C1C[C@H]2C[C@@H](C[C@@H]1N2)O TS89096 [0,0,0,2,0,0|1,0,0]=3 1252 B10R2.71 C1C[C@H]2C[C@H](C[C@@H]1N2)O TS77428 [0,0,0,2,0,0|1,0,0]=3 1253 B10R2.71 C1C[C@H]2C[C@H](C[C@@H]1N2)O TS91033 [0,0,0,2,0,0|1,0,0]=3 1254 B10R2.71 CN1CC2CCC(C1)N2 TS70663 [0,0,0,2,0,0|2,0,0]=4 1255 B10R2.99 CCC1CC2CCC1C2 TS05057 [0,0,0,2,0,0|1,0,0]=3 1256 B10R2.109 C=CC1CCC2C(C1)O2 TS36000 [0,0,0,2,0,0|0,0,2]=4 1257 B10R2.408 C1CC2CCCC(C1)N2 TS86863 [0,0,0,2,0,0|1,0,0]=3 1258 B10R2.408 C1CC2COCC(C1)N2 TS92696 [0,0,0,2,0,0|2,0,0]=4 1259 B10R2.408 C1C[C@@H]2P[C@H](C1)CCC2 TS37581 [0,0,0,2,0,0|1,0,0]=3 1260 B10R2.357 C1C2C1CC(C2)C(=O)O TS89364 [0,0,0,2,0,0|1,0,1]=4 1261 B10R2.2 C1[C@@H](C[C@@H]2[C@H]1CNC2)O TS92835 [0,0,0,2,0,0|1,0,0]=3 1262 B10R2.2 C1[C@H](C[C@@H]2[C@H]1CNC2)O TS88381 [0,0,0,2,0,0|1,0,0]=3 1263 B10R2.32 C1C[C@H]([C@@H]2[C@H]1CNC2)O TS92016 [0,0,0,2,0,0|1,0,0]=3 1264 B10R2.18 C1CC2C(O2)CCC=C1 TS36004 [0,0,0,2,0,0|0,0,2]=4 1265 B10R2.18 C1CCCC2C(O2)CC1 TS36160 [0,0,0,2,0,0|0,0,0]=2 1266 B10R2.410 C1C(O1)COCC2CO2 TS36469 [0,0,0,2,0,0|2,0,0]=4