0 B7R0.3 C#CCNC(=O)CCl TS05681 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C(C=CC(=O)CCl)N TS64929 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C(CC(=O)NN)CO TS32340 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 C=CC(=O)NCCN TS94605 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 C=CC(=O)OCC#C TS04190 [0,0,0,0,0,0|0,0,4]=4 5 B7R0.3 C=CC(=O)OCCBr TS47659 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.3 C=CC(=O)OCCCl TS05938 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.3 C=CC(=O)OCCO TS56178 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.3 C=CCOC(=O)C=C TS31905 [0,0,0,0,0,0|0,0,4]=4 9 B7R0.3 C=CCOC(=O)CCl TS05941 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.3 CCC#CC(=O)OC TS31922 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.3 CCC#CC(CC)O TS31952 [0,0,0,0,0,0|1,0,3]=4 12 B7R0.3 CCC(=CCC=C)C TS04221 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.3 CCC(=O)NCCO TS32284 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.3 CCC(=O)OCC#C TS31921 [0,0,0,0,0,0|0,0,2]=2 15 B7R0.3 CCC(=O)OCC=C TS04450 [0,0,0,0,0,0|0,0,2]=2 16 B7R0.3 CCC(=S)OCC=C TS05577 [0,0,0,0,0,0|0,1,2]=3 17 B7R0.3 CCC=CC(=O)OC TS56262 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.3 CCC=CC(C)CC TS31968 [0,0,0,0,0,0|2,0,2]=4 19 B7R0.3 CCCCC(=C)CC TS04366 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.3 CCCCC(=CC)C TS04336 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.3 CCCCC(=NO)C TS04540 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.3 CCCCC(=O)CC TS04462 [0,0,0,0,0,0|1,0,0]=1 23 B7R0.3 CCCCC(=O)NC TS32169 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.3 CCCCC(=O)NN TS04606 [0,0,0,0,0,0|3,0,0]=3 25 B7R0.3 CCCCC(=O)OC TS32226 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.3 CCCCC(C)CBr TS14345 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 CCCCC(C)CC TS32121 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.3 CCCCC(C)CO TS32251 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.3 CCCCC(CBr)Br TS85274 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.3 CCCCC(CC)Br TS14340 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.3 CCCCC(CC)N TS04554 [0,0,0,0,0,0|2,0,1]=3 32 B7R0.3 CCCCC(CC)O TS04628 [0,0,0,0,0,0|1,0,2]=3 33 B7R0.3 CCCCC(CCl)Cl TS10545 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 CCCCC(CO)N TS32290 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.3 CCCCC(CO)O TS32342 [0,0,0,0,0,0|2,0,2]=4 36 B7R0.3 CCCC[C@@H](CO)N TS32293 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.3 CCCC[C@H](CO)N TS32292 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.3 CCCNC(C)CC TS04555 [0,0,0,0,0,0|2,0,1]=3 39 B7R0.3 CCCOC(=O)C=C TS04429 [0,0,0,0,0,0|0,0,2]=2 40 B7R0.3 CCCOC(=O)CCl TS06137 [0,0,0,0,0,0|1,0,0]=1 41 B7R0.3 CCCOC(=O)CN TS41315 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.3 CCCOC(=O)OC TS32321 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.3 CCCOC(=S)S[K] TS13575 [0,0,0,0,0,0|2,1,0]=3 44 B7R0.3 CCCSC(=O)CC TS05773 [0,0,0,0,0,0|0,1,0]=1 45 B7R0.3 CC[C@H](C)CCCO TS04624 [0,0,0,0,0,0|3,0,1]=4 46 B7R0.3 COC(=O)C#CCO TS32037 [0,0,0,0,0,0|3,0,1]=4 47 B7R0.3 COC(=O)C=CCBr TS47660 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.3 COC(=O)C=CCBr TS93086 [0,0,0,0,0,0|3,0,1]=4 49 B7R0.3 COC(=O)CCC#N TS02730 [0,0,0,0,0,0|3,0,1]=4 50 B7R0.3 COC(=O)CCC=O TS02246 [0,0,0,0,0,0|3,0,1]=4 51 B7R0.3 COC(=O)CCCBr TS09599 [0,0,0,0,0,0|3,0,0]=3 52 B7R0.3 COC(=O)CCCCl TS06131 [0,0,0,0,0,0|3,0,0]=3 53 B7R0.3 COC(=O)CCCI TS52575 [0,0,0,0,0,0|3,0,0]=3 54 B7R0.3 COC(=O)CCCN TS41316 [0,0,0,0,0,0|3,0,0]=3 55 B7R0.3 COC(=O)CCSC TS05919 [0,0,0,0,0,0|3,0,0]=3 56 B7R0.3 COC(=O)OCC=C TS94827 [0,0,0,0,0,0|1,0,2]=3 57 B7R0.3 COC=CC(=O)OC TS32188 [0,0,0,0,0,0|3,0,1]=4 58 B7R0.3 COCCC(=O)NN TS32330 [0,0,0,0,0,0|4,0,0]=4 59 B7R0.3 COCCC(=O)OC TS32322 [0,0,0,0,0,0|3,0,0]=3 60 B7R0.3 COCOC(=C)CCl TS06136 [0,0,0,0,0,0|3,0,0]=3 61 B7R0.3 C[C@H](CO)OCOC TS94527 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.1 C(C(=O)NCO)Cl TS64943 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.1 C(C(=O)OCO)N TS05233 [1,0,0,0,0,0|2,0,0]=3 64 B6R0.1 C(CN)C(=O)CN TS13627 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.1 C(CO)C(=O)CN TS37313 [1,0,0,0,0,0|2,0,0]=3 66 B6R0.1 C=COC(=O)CBr TS42840 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.1 C=COC(=O)CCl TS32444 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.1 C=COC(=O)CI TS44096 [1,0,0,0,0,0|1,0,2]=4 69 B6R0.1 CC#CC(=O)OC TS03761 [1,0,0,0,0,0|1,0,2]=4 70 B6R0.1 CC=C(C)CCO TS03864 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 CC=CC(=O)OC TS56315 [1,0,0,0,0,0|1,0,2]=4 72 B6R0.1 CCC(=O)C=CC TS31436 [1,0,0,0,0,0|0,0,2]=3 73 B6R0.1 CCC(=O)CC#N TS31393 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.1 CCC(=O)CSC TS32357 [1,0,0,0,0,0|1,0,0]=2 75 B6R0.1 CCC(=O)NCC TS03904 [1,0,0,0,0,0|1,0,0]=2 76 B6R0.1 CCC(=O)OC=C TS31498 [1,0,0,0,0,0|0,0,2]=3 77 B6R0.1 CCC(=O)OCC TS03938 [1,0,0,0,0,0|0,0,0]=1 78 B6R0.1 CCC(=O)SCC TS32362 [1,0,0,0,0,0|0,1,0]=2 79 B6R0.1 CCC(C)CCBr TS42853 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.1 CCC(C)CCO TS31615 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.1 CCC(C)SCC TS04755 [1,0,0,0,0,0|1,1,1]=4 82 B6R0.1 CCC(CCN)N TS03976 [1,0,0,0,0,0|2,0,1]=4 83 B6R0.1 CCC(COC)N TS04013 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.1 CCC(COC)O TS04038 [1,0,0,0,0,0|1,0,2]=4 85 B6R0.1 CCCC(=C)C=O TS31425 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.1 CCCC(=C)CC TS03794 [1,0,0,0,0,0|1,0,0]=2 87 B6R0.1 CCCC(=CC)C TS31455 [1,0,0,0,0,0|1,0,1]=3 88 B6R0.1 CCCC(=O)CC TS31522 [1,0,0,0,0,0|0,0,0]=1 89 B6R0.1 CCCC(=O)NN TS31598 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.1 CCCC(=O)OC TS03955 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.1 CCCC(=S)OC TS32358 [1,0,0,0,0,0|1,1,0]=3 92 B6R0.1 CCCC(C)CBr TS42857 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.1 CCCC(C)CC TS03886 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.1 CCCC(C)CO TS39282 [1,0,0,0,0,0|2,0,1]=4 95 B6R0.1 CCCC(C)NC TS03920 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.1 CCCC(CBr)Br TS52925 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.1 CCCC(CC)Br TS42856 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.1 CCCC(CC)Cl TS04841 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.1 CCCC(CC)I TS44109 [1,0,0,0,0,0|1,0,1]=3 100 B6R0.1 CCCC(CC)N TS31564 [1,0,0,0,0,0|1,0,1]=3 101 B6R0.1 CCCC(CC)O TS31611 [1,0,0,0,0,0|0,0,2]=3 102 B6R0.1 CCCC(CC)S TS40939 [1,0,0,0,0,0|0,1,1]=3 103 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,0,0,0,0,0|1,0,1]=3 104 B6R0.1 CCCC(CCl)Cl TS06553 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.1 CCCC(CO)O TS04026 [1,0,0,0,0,0|1,0,2]=4 106 B6R0.1 CCC[C@@H](CO)N TS04002 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.1 CCC[C@@H](CO)O TS04042 [1,0,0,0,0,0|1,0,2]=4 108 B6R0.1 CCC[C@H](CO)N TS04000 [1,0,0,0,0,0|2,0,1]=4 109 B6R0.1 CCNC(=O)C=C TS03826 [1,0,0,0,0,0|1,0,2]=4 110 B6R0.1 CCNC(=O)CCl TS04876 [1,0,0,0,0,0|2,0,0]=3 111 B6R0.1 CCNC(=O)OC TS31636 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.1 CCOC(=O)C#C TS03762 [1,0,0,0,0,0|0,0,2]=3 113 B6R0.1 CCOC(=O)C#N TS31469 [1,0,0,0,0,0|1,0,1]=3 114 B6R0.1 CCOC(=O)C=C TS33216 [1,0,0,0,0,0|0,0,2]=3 115 B6R0.1 CCOC(=O)C=O TS56148 [1,0,0,0,0,0|1,0,1]=3 116 B6R0.1 CCOC(=O)CBr TS56141 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.1 CCOC(=O)CCl TS39825 [1,0,0,0,0,0|1,0,0]=2 118 B6R0.1 CCOC(=O)CF TS65215 [1,0,0,0,0,0|1,0,0]=2 119 B6R0.1 CCOC(=O)CN TS31646 [1,0,0,0,0,0|1,0,0]=2 120 B6R0.1 CCOC(=O)CN TS33221 [1,0,0,0,0,0|1,0,0]=2 121 B6R0.1 CCOC(=O)CO TS56147 [1,0,0,0,0,0|1,0,0]=2 122 B6R0.1 CCOC(=O)CS TS01466 [1,0,0,0,0,0|1,0,0]=2 123 B6R0.1 CCOC(=O)NC TS31637 [1,0,0,0,0,0|1,0,0]=2 124 B6R0.1 CCOC(=O)NN TS59780 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.1 CCOC(=O)NO TS04067 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.1 CCOC(=O)OC TS31662 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.1 CCOC(=S)S[K] TS01641 [1,0,0,0,0,0|2,1,0]=4 128 B6R0.1 CCOC(=S)S[Na] TS39945 [1,0,0,0,0,0|2,1,0]=4 129 B6R0.1 CCOC(CBr)Br TS25152 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.1 CCOC(CCl)Cl TS06818 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.1 CC[C@H](C)CCBr TS42859 [1,0,0,0,0,0|2,0,1]=4 132 B6R0.1 CC[C@H](C)CCO TS31612 [1,0,0,0,0,0|2,0,1]=4 133 B6R0.1 CNC(=O)CC#N TS55304 [1,0,0,0,0,0|2,0,1]=4 134 B6R0.1 CNCC(=O)OC TS01682 [1,0,0,0,0,0|2,0,0]=3 135 B6R0.1 COC(=O)CC#N TS31466 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.1 COC(=O)CC=C TS31502 [1,0,0,0,0,0|1,0,2]=4 137 B6R0.1 COC(=O)CCBr TS56269 [1,0,0,0,0,0|2,0,0]=3 138 B6R0.1 COC(=O)CCCl TS04939 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.1 COC(=O)CCN TS08577 [1,0,0,0,0,0|2,0,0]=3 140 B6R0.1 COC(=O)CCO TS65233 [1,0,0,0,0,0|2,0,0]=3 141 B6R0.1 COC(=O)CCS TS04824 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.1 COC(=O)CSC TS39398 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.1 COCC(=O)OC TS39892 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.4 C#CCOC(=O)Cl TS04763 [1,0,0,0,0,0|1,0,2]=4 146 B6R0.4 C(CBr)OC(=O)Cl TS50601 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.4 C(CC(=O)Cl)CBr TS94813 [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 C(CC(=O)Cl)CCl TS33157 [1,0,0,0,0,0|3,0,0]=4 149 B6R0.4 C(CC(=O)N)CN TS37256 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.4 C(CC(=O)O)CBr TS39744 [1,0,0,0,0,0|3,0,0]=4 151 B6R0.4 C(CC(=O)O)CI TS44433 [1,0,0,0,0,0|3,0,0]=4 152 B6R0.4 C(CC(=O)O)CN TS31643 [1,0,0,0,0,0|3,0,0]=4 153 B6R0.4 C(CC(=O)[O-])CO TS01692 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.4 C(CCl)NC(=O)N TS04945 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.4 C(CCl)OC(=O)Cl TS06815 [1,0,0,0,0,0|2,0,0]=3 156 B6R0.4 C(CCl)OC(=O)N TS04987 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.4 C(CO)NC(=O)N TS04021 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.4 C(CO[N+](=O)[O-])N TS31727 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.4 C=CCOC(=O)Cl TS33219 [1,0,0,0,0,0|1,0,2]=4 160 B6R0.4 C=CCOC(=O)N TS31538 [1,0,0,0,0,0|1,0,2]=4 161 B6R0.4 CC(=C)CCCO TS31523 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.4 CC(=CCCO)C TS03867 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.4 CC(=O)C=COC TS03850 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.4 CC(=O)CCC=C TS31440 [1,0,0,0,0,0|1,0,2]=4 165 B6R0.4 CC(=O)CCCCl TS03260 [1,0,0,0,0,0|2,0,0]=3 166 B6R0.4 CC(=O)CCCO TS39779 [1,0,0,0,0,0|2,0,0]=3 167 B6R0.4 CC(=O)CCSC TS32359 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.4 CC(=O)NCCN TS31596 [1,0,0,0,0,0|2,0,0]=3 169 B6R0.4 CC(=O)NCCO TS03989 [1,0,0,0,0,0|2,0,0]=3 170 B6R0.4 CC(=O)NCCS TS04795 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.4 CC(=O)OCC#C TS03765 [1,0,0,0,0,0|0,0,2]=3 172 B6R0.4 CC(=O)OCC=C TS03845 [1,0,0,0,0,0|0,0,2]=3 173 B6R0.4 CC(=O)OCC=O TS31580 [1,0,0,0,0,0|1,0,1]=3 174 B6R0.4 CC(=O)OCCBr TS55164 [1,0,0,0,0,0|1,0,0]=2 175 B6R0.4 CC(=O)OCCCl TS04941 [1,0,0,0,0,0|1,0,0]=2 176 B6R0.4 CC(=O)OCCO TS31665 [1,0,0,0,0,0|1,0,0]=2 177 B6R0.4 CC(=S)OCC#N TS32147 [1,0,0,0,0,0|1,1,1]=4 178 B6R0.4 CC(=S)OCC=C TS04611 [1,0,0,0,0,0|0,1,2]=4 179 B6R0.4 CC(C)OCCN TS39675 [1,0,0,0,0,0|2,0,1]=4 180 B6R0.4 CC(C)OCCO TS04040 [1,0,0,0,0,0|2,0,1]=4 181 B6R0.4 CCC#CC(=C)C TS03675 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.4 CCC#CC(=O)C TS31369 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.4 CCC#CC(=O)O TS03759 [1,0,0,0,0,0|2,0,1]=4 184 B6R0.4 CCC=CC(=O)C TS31424 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.4 CCC=CC(=O)O TS03448 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.4 CCC=CC(=O)O TS31503 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.4 CCCCC(=C)C TS31452 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.4 CCCCC(=O)Br TS42846 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.4 CCCCC(=O)C TS31529 [1,0,0,0,0,0|1,0,0]=2 190 B6R0.4 CCCCC(=O)Cl TS32451 [1,0,0,0,0,0|2,0,0]=3 191 B6R0.4 CCCCC(=O)N TS31554 [1,0,0,0,0,0|2,0,0]=3 192 B6R0.4 CCCCC(=O)O TS03958 [1,0,0,0,0,0|2,0,0]=3 193 B6R0.4 CCCCC(=O)[O-] TS04789 [1,0,0,0,0,0|2,0,0]=3 194 B6R0.4 CCCCC(=O)[O-] TS30457 [1,0,0,0,0,0|2,0,0]=3 195 B6R0.4 CCCCC(C)Br TS42855 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.4 CCCCC(C)C TS03881 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.4 CCCCC(C)Cl TS04843 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.4 CCCCC(C)I TS44108 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.4 CCCCC(C)N TS31565 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.4 CCCCC(C)O TS31617 [1,0,0,0,0,0|1,0,2]=4 201 B6R0.4 CCCCN(C)C TS03927 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.4 CCCC[C@@H](C)N TS03923 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.4 CCCC[C@@H](C)O TS03965 [1,0,0,0,0,0|1,0,2]=4 204 B6R0.4 CCCC[C@H](C)N TS03919 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.4 CCCC[C@H](C)O TS31613 [1,0,0,0,0,0|1,0,2]=4 206 B6R0.4 CCCC[N+](=O)[O-] TS31647 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.4 CCCC[Si](C)C TS04645 [1,0,0,0,0,0|2,1,0]=4 208 B6R0.4 CCCC[Sn](=O)O TS43570 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.4 CCCNC(=O)N TS31594 [1,0,0,0,0,0|2,0,0]=3 210 B6R0.4 CCCNC(=O)[O-] TS31634 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.4 CCCNC(C)C TS03926 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.4 CCCOC(=O)C TS03949 [1,0,0,0,0,0|0,0,0]=1 213 B6R0.4 CCCOC(=O)Cl TS55808 [1,0,0,0,0,0|1,0,0]=2 214 B6R0.4 CCCON(=O)=O TS04066 [1,0,0,0,0,0|2,0,0]=3 215 B6R0.4 CCCSC(=O)C TS32364 [1,0,0,0,0,0|0,1,0]=2 216 B6R0.4 CCCSC(=O)Cl TS06329 [1,0,0,0,0,0|1,1,0]=3 217 B6R0.4 CCCSC(C)C TS32368 [1,0,0,0,0,0|1,1,1]=4 218 B6R0.4 CCNCC(=C)C TS03829 [1,0,0,0,0,0|3,0,0]=4 219 B6R0.4 CCNCC(=O)O TS01936 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.4 CCOCC(=O)O TS16814 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.4 CCSCC(=O)C TS32360 [1,0,0,0,0,0|2,0,0]=3 222 B6R0.4 CCSCC(=O)O TS04822 [1,0,0,0,0,0|3,0,0]=4 223 B6R0.4 CNCCC(=O)O TS03990 [1,0,0,0,0,0|3,0,0]=4 224 B6R0.4 COCCC(=O)O TS31660 [1,0,0,0,0,0|3,0,0]=4 225 B6R0.6 C(CBr)OCCBr TS08788 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.6 C(CCl)OCCCl TS00044 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.6 C(CI)OCCI TS63369 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.6 C(COCCCl)O TS36027 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.6 C(COCCN)N TS04047 [1,0,0,0,0,0|2,0,1]=4 230 B6R0.6 C(COCCN)N TS47125 [1,0,0,0,0,0|2,0,1]=4 231 B6R0.6 C(COCCO)N TS04075 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.6 C(COCCO)O TS01431 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.6 C(COCCS)O TS32524 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.6 C(CS)OCCS TS37236 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.6 CC=CCCCO TS31509 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.6 CC=CCCCO TS31521 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.6 CCC#COCC TS31433 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.6 CCC=CCC=O TS31443 [1,0,0,0,0,0|2,0,1]=4 239 B6R0.6 CCC=CCCO TS31511 [1,0,0,0,0,0|2,0,0]=3 240 B6R0.6 CCC=CCCO TS31515 [1,0,0,0,0,0|2,0,0]=3 241 B6R0.6 CCCC#CCC TS03730 [1,0,0,0,0,0|1,0,1]=3 242 B6R0.6 CCCC=CC=O TS31421 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.6 CCCC=CC=O TS31438 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.6 CCCC=CC=O TS31444 [1,0,0,0,0,0|2,0,1]=4 245 B6R0.6 CCCC=CCO TS03865 [1,0,0,0,0,0|2,0,0]=3 246 B6R0.6 CCCCC#CC TS03724 [1,0,0,0,0,0|1,0,2]=4 247 B6R0.6 CCCCC=CBr TS11653 [1,0,0,0,0,0|2,0,1]=4 248 B6R0.6 CCCCC=CC TS03803 [1,0,0,0,0,0|1,0,1]=3 249 B6R0.6 CCCCCCBr TS00036 [1,0,0,0,0,0|2,0,1]=4 250 B6R0.6 CCCCCCC TS03885 [1,0,0,0,0,0|1,0,1]=3 251 B6R0.6 CCCCCCCl TS04842 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.6 CCCCCCF TS31676 [1,0,0,0,0,0|2,0,1]=4 253 B6R0.6 CCCCCCI TS93973 [1,0,0,0,0,0|2,0,1]=4 254 B6R0.6 CCCCCCN TS31561 [1,0,0,0,0,0|2,0,1]=4 255 B6R0.6 CCCCCCN TS37145 [1,0,0,0,0,0|2,0,1]=4 256 B6R0.6 CCCCCCO TS39881 [1,0,0,0,0,0|2,0,1]=4 257 B6R0.6 CCCCCCS TS04753 [1,0,0,0,0,0|2,0,1]=4 258 B6R0.6 CCCCCC[SiH3] TS04643 [1,0,0,0,0,0|1,1,1]=4 259 B6R0.6 CCCCCC[Zn+] TS24970 [1,0,0,0,0,0|2,0,1]=4 260 B6R0.6 CCCCCNC TS03916 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.6 CCCCCSC TS04750 [1,0,0,0,0,0|2,0,1]=4 262 B6R0.6 CCCCNCC TS03925 [1,0,0,0,0,0|2,0,0]=3 263 B6R0.6 CCCCOCC TS03964 [1,0,0,0,0,0|2,0,0]=3 264 B6R0.6 CCCCOCCl TS04949 [1,0,0,0,0,0|3,0,0]=4 265 B6R0.6 CCCCSCC TS04749 [1,0,0,0,0,0|2,0,0]=3 266 B6R0.6 CCCNCCC TS39857 [1,0,0,0,0,0|1,0,1]=3 267 B6R0.6 CCCNCCN TS03973 [1,0,0,0,0,0|2,0,1]=4 268 B6R0.6 CCCNCCO TS04001 [1,0,0,0,0,0|2,0,1]=4 269 B6R0.6 CCCOCCC TS03967 [1,0,0,0,0,0|0,0,1]=2 270 B6R0.6 CCCOCCC TS49356 [1,0,0,0,0,0|0,0,1]=2 271 B6R0.6 CCCOCCCl TS04951 [1,0,0,0,0,0|1,0,1]=3 272 B6R0.6 CCCOCCN TS04012 [1,0,0,0,0,0|1,0,1]=3 273 B6R0.6 CCCSC=CC TS04637 [1,0,0,0,0,0|0,1,1]=3 274 B6R0.6 CCCSCCC TS04756 [1,0,0,0,0,0|0,1,1]=3 275 B6R0.6 CCCSCCO TS32433 [1,0,0,0,0,0|1,1,1]=4 276 B6R0.6 CCCSSCC TS37066 [1,0,0,0,0,0|1,1,0]=3 277 B6R0.6 CCCSSSC TS10513 [1,0,0,0,0,0|2,1,0]=4 278 B6R0.6 CCC[Hg]CCC TS35002 [1,0,0,0,0,0|1,0,1]=3 279 B6R0.6 CCNCCCN TS03975 [1,0,0,0,0,0|3,0,0]=4 280 B6R0.6 CCNCCNC TS03972 [1,0,0,0,0,0|3,0,0]=4 281 B6R0.6 CCOCCCBr TS12340 [1,0,0,0,0,0|3,0,0]=4 282 B6R0.6 CCOCCCCl TS04950 [1,0,0,0,0,0|3,0,0]=4 283 B6R0.6 CCOCCCN TS04010 [1,0,0,0,0,0|3,0,0]=4 284 B6R0.6 CCOCCCO TS04028 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.6 CCOCCOC TS04027 [1,0,0,0,0,0|3,0,0]=4 286 B6R0.6 CCOCOCC TS74492 [1,0,0,0,0,0|3,0,0]=4 287 B6R0.6 CCSCCCO TS32432 [1,0,0,0,0,0|3,0,0]=4 288 B6R0.6 CCSSSCC TS10514 [1,0,0,0,0,0|2,1,0]=4 289 B6R0.6 COCOCCBr TS44958 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.6 [Li]CCCCCC TS03654 [1,0,0,0,0,0|2,0,1]=4 291 B8R0.1 C(CS)C(=O)OCCO TS40886 [0,1,0,0,0,0|1,0,0]=2 292 B8R0.1 C=CCOC(=O)CC#N TS05077 [0,1,0,0,0,0|0,0,3]=4 293 B8R0.1 CC=CC(=O)OCC=C TS36127 [0,1,0,0,0,0|0,0,3]=4 294 B8R0.1 CCC#CC(=O)OCC TS36115 [0,1,0,0,0,0|1,0,1]=3 295 B8R0.1 CCCC(=O)OCC=C TS05341 [0,1,0,0,0,0|0,0,2]=3 296 B8R0.1 CCCC(=O)OCCC TS05549 [0,1,0,0,0,0|0,0,0]=1 297 B8R0.1 CCCC(=O)OCSC TS07493 [0,1,0,0,0,0|1,0,0]=2 298 B8R0.1 CCCCC(=O)C=CC TS05182 [0,1,0,0,0,0|1,0,1]=3 299 B8R0.1 CCCCC(=O)CCC TS36329 [0,1,0,0,0,0|1,0,0]=2 300 B8R0.1 CCCCC(=O)OC=C TS05348 [0,1,0,0,0,0|1,0,2]=4 301 B8R0.1 CCCCC(=O)OCC TS36495 [0,1,0,0,0,0|1,0,0]=2 302 B8R0.1 CCCCC(C)CCC TS05416 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.1 CCCCC(C)CCO TS05597 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.1 CCCCC(CCC)Br TS51606 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.1 CCCCC(CCC)Cl TS07522 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.1 CCCCC(CCC)I TS26461 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.1 CCCCC(CCC)O TS36547 [0,1,0,0,0,0|1,0,2]=4 308 B8R0.1 CCCCN(C)CCN TS05610 [0,1,0,0,0,0|3,0,0]=4 309 B8R0.1 CCCC[C@@H](C)CCO TS36538 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.1 CCCOC(=O)C=CC TS05345 [0,1,0,0,0,0|0,0,1]=2 311 B8R0.1 CCCOC(=O)CC#N TS36217 [0,1,0,0,0,0|0,0,1]=2 312 B8R0.1 CCOC(=O)C=CCBr TS51583 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.1 CCOC(=O)CCC=C TS05344 [0,1,0,0,0,0|1,0,2]=4 314 B8R0.1 CCOC(=O)CCC=O TS94704 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.1 CCOC(=O)CCCBr TS16550 [0,1,0,0,0,0|2,0,0]=3 316 B8R0.1 CCOC(=O)CCCCl TS93676 [0,1,0,0,0,0|2,0,0]=3 317 B8R0.1 CCOC(=O)CCCN TS43285 [0,1,0,0,0,0|2,0,0]=3 318 B8R0.1 CCOC(=O)CCC[Zn+] TS68422 [0,1,0,0,0,0|2,0,0]=3 319 B8R0.1 CCOC(=O)OCC=C TS05516 [0,1,0,0,0,0|0,0,2]=3 320 B8R0.1 CCOCC(=O)OCC TS05732 [0,1,0,0,0,0|2,0,0]=3 321 B8R0.3 CC(CCCl)C(=O)OC TS09965 [0,1,0,0,0,0|3,0,0]=4 322 B8R0.3 CC(CCN)C(=O)CO TS36604 [0,1,0,0,0,0|3,0,0]=4 323 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,1,0,0,0,0|2,0,1]=4 324 B8R0.3 CCCC(C(=O)OC)Br TS93475 [0,1,0,0,0,0|2,0,0]=3 325 B8R0.3 CCCC(C(C)CC)O TS36557 [0,1,0,0,0,0|2,0,1]=4 326 B8R0.3 CCCC(C)C(=O)OC TS05547 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.3 CCCC(C)C(C)CC TS05420 [0,1,0,0,0,0|2,0,1]=4 328 B8R0.3 CCCC(C)C(CC)O TS36549 [0,1,0,0,0,0|1,0,2]=4 329 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [0,1,0,0,0,0|2,0,0]=3 330 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.3 COC(=O)C(CCBr)Br TS68328 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.3 COCC(C(=O)OC)Br TS53797 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.6 C=CC(=O)OCCC#N TS05083 [0,1,0,0,0,0|0,0,3]=4 334 B8R0.6 CCC(C)CCCCO TS36535 [0,1,0,0,0,0|2,0,1]=4 335 B8R0.6 CCCC#CC(=O)OC TS05154 [0,1,0,0,0,0|2,0,0]=3 336 B8R0.6 CCCC=CC(=O)OC TS36302 [0,1,0,0,0,0|2,0,0]=3 337 B8R0.6 CCCCCC(=O)C=C TS05201 [0,1,0,0,0,0|1,0,2]=4 338 B8R0.6 CCCCCC(=O)CC TS36343 [0,1,0,0,0,0|1,0,0]=2 339 B8R0.6 CCCCCC(=O)NO TS05662 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.6 CCCCCC(=O)OC TS36499 [0,1,0,0,0,0|2,0,0]=3 341 B8R0.6 CCCCCC(C)CC TS05415 [0,1,0,0,0,0|2,0,1]=4 342 B8R0.6 CCCCCC(CC)Br TS51604 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.6 CCCCCC(CC)Cl TS07523 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.6 CCCCCC(CC)O TS36536 [0,1,0,0,0,0|1,0,2]=4 345 B8R0.6 CCCCNC(=O)C=C TS05274 [0,1,0,0,0,0|1,0,2]=4 346 B8R0.6 CCCCNC(=O)CC TS36435 [0,1,0,0,0,0|1,0,0]=2 347 B8R0.6 CCCCNC(=O)CCl TS40802 [0,1,0,0,0,0|2,0,0]=3 348 B8R0.6 CCCCNC(=O)OC TS36586 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.6 CCCCOC(=O)C#C TS05149 [0,1,0,0,0,0|0,0,2]=3 350 B8R0.6 CCCCOC(=O)C=C TS36291 [0,1,0,0,0,0|0,0,2]=3 351 B8R0.6 CCCCOC(=O)C=O TS36470 [0,1,0,0,0,0|1,0,1]=3 352 B8R0.6 CCCCOC(=O)CC TS05554 [0,1,0,0,0,0|0,0,0]=1 353 B8R0.6 CCCCOC(=O)CCl TS09968 [0,1,0,0,0,0|1,0,0]=2 354 B8R0.6 CCCCOC(=O)CF TS05889 [0,1,0,0,0,0|1,0,0]=2 355 B8R0.6 CCCCOC(=O)CN TS12446 [0,1,0,0,0,0|1,0,0]=2 356 B8R0.6 CCCCOC(=O)CO TS05729 [0,1,0,0,0,0|1,0,0]=2 357 B8R0.6 CCCCOC(=O)CS TS07490 [0,1,0,0,0,0|1,0,0]=2 358 B8R0.6 CCCCOC(=S)S[K] TS50815 [0,1,0,0,0,0|2,1,0]=4 359 B8R0.6 CCSCCC(=O)OC TS07487 [0,1,0,0,0,0|2,0,0]=3 360 B8R0.6 CC[C@H](C)CCCCO TS05594 [0,1,0,0,0,0|2,0,1]=4 361 B8R0.6 COC(=O)CCCC#C TS36125 [0,1,0,0,0,0|2,0,1]=4 362 B8R0.6 COC(=O)CCCC=C TS36304 [0,1,0,0,0,0|2,0,1]=4 363 B8R0.6 COC(=O)CCCC=O TS85464 [0,1,0,0,0,0|2,0,1]=4 364 B8R0.6 COC(=O)CCCCBr TS51950 [0,1,0,0,0,0|2,0,0]=3 365 B8R0.6 COC(=O)CCCCCl TS09970 [0,1,0,0,0,0|2,0,0]=3 366 B8R0.6 COCCOC(=O)C=C TS05521 [0,1,0,0,0,0|0,0,2]=3 367 B8R0.6 COCCOC(=O)CCl TS10245 [0,1,0,0,0,0|1,0,0]=2 368 B8R0.8 CC(=C)C(=O)NCCO TS36409 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.8 CC(=C)C(=O)NCOC TS36403 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.8 CC(=C)C(=O)OCC#C TS32595 [0,1,0,0,0,0|0,0,3]=4 371 B8R0.8 CC(=C)C(=O)OCCBr TS17607 [0,1,0,0,0,0|1,0,1]=3 372 B8R0.8 CC(=C)C(=O)OCCCl TS40704 [0,1,0,0,0,0|1,0,1]=3 373 B8R0.8 CC(=C)C(=O)OCCF TS36652 [0,1,0,0,0,0|1,0,1]=3 374 B8R0.8 CC(=C)C(=O)OCCN TS42970 [0,1,0,0,0,0|1,0,1]=3 375 B8R0.8 CC(=C)C(=O)OCCO TS05522 [0,1,0,0,0,0|1,0,1]=3 376 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,1,0,0,0,0|2,0,0]=3 377 B8R0.8 CC(C(=O)OCC=C)Br TS51582 [0,1,0,0,0,0|0,0,2]=3 378 B8R0.8 CC(C(=O)OCC=C)O TS05524 [0,1,0,0,0,0|0,0,2]=3 379 B8R0.8 CC(C)C(=O)OCC=C TS36305 [0,1,0,0,0,0|0,0,2]=3 380 B8R0.8 CCCCC(=C(C)C)C TS05209 [0,1,0,0,0,0|2,0,1]=4 381 B8R0.8 CCCCC(=O)C(=O)C TS05337 [0,1,0,0,0,0|1,0,1]=3 382 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [0,1,0,0,0,0|2,0,1]=4 383 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,1,0,0,0,0|1,0,0]=2 384 B8R0.8 CCCCC(=O)N(C)C TS05483 [0,1,0,0,0,0|2,0,0]=3 385 B8R0.8 CCCCC(C(C)C)O TS05585 [0,1,0,0,0,0|1,0,2]=4 386 B8R0.8 CCCCC(C)C(C)C TS05429 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.8 CCCCC(C)C(C)O TS05586 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.8 CCCOC(=O)C(=C)C TS36313 [0,1,0,0,0,0|0,0,1]=2 389 B8R0.8 CCCOC(=O)C(=O)C TS40210 [0,1,0,0,0,0|0,0,1]=2 390 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,1,0,0,0,0|0,0,0]=1 391 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,1,0,0,0,0|0,0,0]=1 392 B8R0.8 CN(C)C(=O)CCCCl TS40801 [0,1,0,0,0,0|3,0,0]=4 393 B8R0.9 CC(=C)COC(=O)C=C TS36122 [0,1,0,0,0,0|0,0,3]=4 394 B8R0.9 CC(=O)CCC(=O)OC TS05537 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.9 CC(C)C=CC(=O)OC TS36289 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.9 CC(C)CCC(=O)OC TS36500 [0,1,0,0,0,0|2,0,0]=3 397 B8R0.9 CC(C)COC(=O)C=C TS05334 [0,1,0,0,0,0|0,0,2]=3 398 B8R0.9 CC(CO)OCC(C)O TS05902 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.9 CC(COC(=O)C=C)O TS36472 [0,1,0,0,0,0|0,0,2]=3 400 B8R0.9 CCC(=O)CCC(C)C TS05386 [0,1,0,0,0,0|1,0,0]=2 401 B8R0.9 CCC(=O)OCC(C)C TS05543 [0,1,0,0,0,0|0,0,0]=1 402 B8R0.9 CCC(C)CCC(C)C TS05428 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.9 CCC(C)CCC(C)O TS36529 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.9 CCC(CCC(C)C)O TS05596 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.9 CN(C)CCC(=O)OC TS36601 [0,1,0,0,0,0|3,0,0]=4 406 B8R0.11 CCCC=C(CC)C=O TS05180 [0,1,0,0,0,0|1,0,0]=2 407 B8R0.11 CCCCC(CC)C#N TS05110 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.11 CCCCC(CC)C=O TS36324 [0,1,0,0,0,0|1,0,1]=3 409 B8R0.11 CCCCC(CC)CBr TS51605 [0,1,0,0,0,0|2,0,1]=4 410 B8R0.11 CCCCC(CC)CBr TS93468 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.11 CCCCC(CC)CC TS05421 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.11 CCCCC(CC)CCl TS07519 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.11 CCCCC(CC)CI TS26462 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.11 CCCCC(CC)CN TS05498 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.11 CCCCC(CC)CN TS12119 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.11 CCCCC(CC)CN TS43752 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.11 CCCCC(CC)CO TS36533 [0,1,0,0,0,0|1,0,2]=4 418 B8R0.11 CCCCC(CC)CS TS40474 [0,1,0,0,0,0|1,1,1]=4 419 B8R0.11 CCCCC(CC)C[O-] TS06071 [0,1,0,0,0,0|1,0,2]=4 420 B8R0.11 CCCCN(CC)CC TS05492 [0,1,0,0,0,0|3,0,0]=4 421 B8R0.11 CCCCN(CC)N=O TS05572 [0,1,0,0,0,0|2,0,0]=3 422 B8R0.11 [Li]CC(CC)CCCC TS04820 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.19 C(C(=O)OC(=O)CBr)Br TS68324 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.19 C(C(=O)OC(=O)CN)N TS32046 [0,1,0,0,0,0|2,0,1]=4 425 B8R0.19 CCC(=O)CC(=O)CC TS36297 [0,1,0,0,0,0|1,0,1]=3 426 B8R0.19 CCC(=O)CC(=O)OC TS02305 [0,1,0,0,0,0|2,0,1]=4 427 B8R0.19 CCC(=O)OC(=O)CC TS39924 [0,1,0,0,0,0|0,0,1]=2 428 B8R0.19 CCC(C)C=C(C)CC TS36183 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.19 CCC(C)CC(=O)CC TS36340 [0,1,0,0,0,0|1,0,0]=2 430 B8R0.19 CCC(C)CC(=O)OC TS36498 [0,1,0,0,0,0|2,0,0]=3 431 B8R0.19 CCC(C)CC(C)CC TS05414 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.19 CCC(C)CC(CC)O TS36539 [0,1,0,0,0,0|1,0,2]=4 433 B8R0.19 CCC(C)NC(=O)CCl TS40798 [0,1,0,0,0,0|2,0,0]=3 434 B8R0.19 CCC(C)NC(C)CC TS05494 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.19 CCC(C)OC(=S)NC TS40578 [0,1,0,0,0,0|1,1,0]=3 436 B8R0.19 CCC(C)OC(C)CC TS36540 [0,1,0,0,0,0|1,0,1]=3 437 B8R0.19 CCC(C)SC(C)CC TS40475 [0,1,0,0,0,0|1,1,1]=4 438 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [0,1,0,0,0,0|2,0,0]=3 439 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.19 COC(=O)CC(CCl)O TS22838 [0,1,0,0,0,0|3,0,0]=4 441 B8R0.19 COC(=O)C[C@@H](CCl)O TS10244 [0,1,0,0,0,0|3,0,0]=4 442 B8R0.19 COC(=O)C[C@@H](CO)O TS05870 [0,1,0,0,0,0|3,0,0]=4 443 B8R0.19 COC(=O)C[C@H](CCl)O TS10243 [0,1,0,0,0,0|3,0,0]=4 444 B8R0.19 COC(=O)OC(=O)OC TS05864 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.25 CCCCC(C)(C)CC TS36368 [0,1,0,0,0,0|2,0,1]=4 446 B8R0.25 CCCCC(C)(CC)O TS36532 [0,1,0,0,0,0|1,0,2]=4 447 B8R1.1 C1=CC(=O)O[C@@H]1CO TS32034 [0,0,0,1,0,0|1,0,2]=4 448 B8R1.1 C1=CC(=O)O[C@H]1CO TS32043 [0,0,0,1,0,0|1,0,2]=4 449 B8R1.1 C1C(CNC1=O)CN TS85675 [0,0,0,1,0,0|3,0,0]=4 450 B8R1.1 C1C(CNC1=O)CO TS89668 [0,0,0,1,0,0|3,0,0]=4 451 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [0,0,0,1,0,0|2,0,0]=3 452 B8R1.1 C1C(OC(=O)O1)CO TS04697 [0,0,0,1,0,0|2,0,0]=3 453 B8R1.1 C1CC(=O)NC1CN TS32080 [0,0,0,1,0,0|2,0,0]=3 454 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [0,0,0,1,0,0|2,0,0]=3 455 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [0,0,0,1,0,0|2,0,0]=3 456 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [0,0,0,1,0,0|2,0,0]=3 457 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [0,0,0,1,0,0|2,0,0]=3 458 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [0,0,0,1,0,0|2,0,0]=3 459 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [0,0,0,1,0,0|1,0,0]=2 460 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [0,0,0,1,0,0|1,0,0]=2 461 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [0,0,0,1,0,0|3,0,0]=4 462 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [0,0,0,1,0,0|3,0,0]=4 463 B8R1.1 C=CC1COC(=O)O1 TS32040 [0,0,0,1,0,0|1,0,2]=4 464 B8R1.1 CCC1=CCC(=C1)C TS04143 [0,0,0,1,0,0|2,0,1]=4 465 B8R1.1 CCC1=NC(CN1)C TS04327 [0,0,0,1,0,0|2,0,0]=3 466 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,0,0,1,0,0|1,0,0]=2 467 B8R1.1 CCC1CCC(=O)O1 TS04438 [0,0,0,1,0,0|0,0,0]=1 468 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,0,0,1,0,0|3,0,0]=4 469 B8R1.2 C1CCOC(C1)CCl TS05953 [0,0,0,1,0,0|2,0,1]=4 470 B8R1.2 C1CCOC(C1)CN TS59436 [0,0,0,1,0,0|2,0,1]=4 471 B8R1.2 C1CCOC(C1)CN TS59437 [0,0,0,1,0,0|2,0,1]=4 472 B8R1.2 C1CCOC(C1)CO TS59577 [0,0,0,1,0,0|2,0,1]=4 473 B8R1.2 CCC1=CCCCC1 TS31842 [0,0,0,1,0,0|2,0,0]=3 474 B8R1.2 CCC1CCCCC1 TS04342 [0,0,0,1,0,0|2,0,1]=4 475 B8R1.2 CCC1CCCCN1 TS04398 [0,0,0,1,0,0|2,0,1]=4 476 B8R1.2 CCN1CCCCC1 TS00439 [0,0,0,1,0,0|3,0,0]=4 477 B8R1.2 CCN1CCCCC1 TS32031 [0,0,0,1,0,0|3,0,0]=4 478 B8R1.2 COC1=CCCCC1 TS04308 [0,0,0,1,0,0|3,0,0]=4 479 B8R1.2 COC1=NCCCC1 TS04387 [0,0,0,1,0,0|3,0,0]=4 480 B8R1.2 CSC1=NCCCN1 TS68095 [0,0,0,1,0,0|3,0,0]=4 481 B8R1.2 CSC1=NCCCS1 TS40582 [0,0,0,1,0,0|2,1,0]=4 482 B8R1.3 C1C(=O)OCC(=O)O1 TS32175 [0,0,0,1,0,0|2,0,1]=4 483 B8R1.3 C1CC(=O)CCC1=O TS39842 [0,0,0,1,0,0|2,0,1]=4 484 B8R1.3 C1CC(=O)CCC1O TS94873 [0,0,0,1,0,0|2,0,0]=3 485 B8R1.3 C1CC(=O)NCC1=O TS59930 [0,0,0,1,0,0|2,0,1]=4 486 B8R1.3 C1CC(=O)NCC1N TS88548 [0,0,0,1,0,0|2,0,0]=3 487 B8R1.3 CC1=NNC(=O)CC1 TS04298 [0,0,0,1,0,0|2,0,1]=4 488 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,0,0,1,0,0|1,0,0]=2 489 B8R1.3 CC1CCC(CC1)Br TS46222 [0,0,0,1,0,0|2,0,1]=4 490 B8R1.3 CC1CCC(CC1)Cl TS36737 [0,0,0,1,0,0|2,0,1]=4 491 B8R1.3 CC1CCC(CC1)O TS32101 [0,0,0,1,0,0|1,0,2]=4 492 B8R1.3 CC1CCN(CC1)N TS04493 [0,0,0,1,0,0|3,0,0]=4 493 B8R1.3 CN1CCC(=O)CC1 TS00486 [0,0,0,1,0,0|2,0,0]=3 494 B8R1.3 C[C@H]1CC[C@@H](CC1)C TS31961 [0,0,0,1,0,0|2,0,1]=4 495 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS40806 [0,0,0,1,0,0|2,0,1]=4 496 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS94786 [0,0,0,1,0,0|2,0,1]=4 497 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [0,0,0,1,0,0|1,0,2]=4 498 B8R1.3 C[C@H]1CC[C@@H](NC1)C TS04401 [0,0,0,1,0,0|2,0,1]=4 499 B8R1.3 C[C@H]1CC[C@H](CC1)C TS04337 [0,0,0,1,0,0|2,0,1]=4 500 B8R1.3 C[C@H]1CC[C@H](CC1)N TS40803 [0,0,0,1,0,0|2,0,1]=4 501 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [0,0,0,1,0,0|1,0,2]=4 502 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,0,0,1,0,0|2,0,0]=3 503 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,0,0,1,0,0|2,0,0]=3 504 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,0,0,1,0,0|2,0,1]=4 505 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,0,0,1,0,0|2,0,0]=3 506 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,0,0,1,0,0|2,0,0]=3 507 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,0,1,0,0|2,0,0]=3 508 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,0,0,1,0,0|3,0,0]=4 509 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,0,0,1,0,0|3,0,0]=4 510 B8R1.5 C1CNCC(C1=O)F TS88150 [0,0,0,1,0,0|3,0,0]=4 511 B8R1.5 C1COCC(C1=O)Br TS87523 [0,0,0,1,0,0|3,0,0]=4 512 B8R1.5 C1COCC(C1=O)F TS90072 [0,0,0,1,0,0|3,0,0]=4 513 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,0,0,1,0,0|2,0,0]=3 514 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,0,0,1,0,0|2,0,0]=3 515 B8R1.5 CC1=C(CCCC1)C TS31858 [0,0,0,1,0,0|2,0,1]=4 516 B8R1.5 CC1=CCCCC1=O TS31839 [0,0,0,1,0,0|1,0,2]=4 517 B8R1.5 CC1=NCCCN1C TS04326 [0,0,0,1,0,0|3,0,0]=4 518 B8R1.5 CC1CCCC=C1C TS31849 [0,0,0,1,0,0|2,0,0]=3 519 B8R1.5 CC1CCCCC1=C TS31851 [0,0,0,1,0,0|2,0,0]=3 520 B8R1.5 CC1CCCCC1=O TS01136 [0,0,0,1,0,0|1,0,0]=2 521 B8R1.5 CC1CCCCC1C TS31973 [0,0,0,1,0,0|2,0,1]=4 522 B8R1.5 CC1CCCCC1N TS32030 [0,0,0,1,0,0|2,0,1]=4 523 B8R1.5 CC1CCCCC1O TS32109 [0,0,0,1,0,0|1,0,2]=4 524 B8R1.5 CC1CCCNC1C TS22984 [0,0,0,1,0,0|2,0,1]=4 525 B8R1.5 CC1CCNCC1=O TS92225 [0,0,0,1,0,0|2,0,0]=3 526 B8R1.5 CC1CNCCC1=O TS02832 [0,0,0,1,0,0|2,0,0]=3 527 B8R1.5 CC1CNCCC1=O TS70671 [0,0,0,1,0,0|2,0,0]=3 528 B8R1.5 CC1COCCC1=O TS89718 [0,0,0,1,0,0|2,0,0]=3 529 B8R1.5 CN1CCCCC1=O TS04393 [0,0,0,1,0,0|2,0,0]=3 530 B8R1.5 CN1CCNCC1=O TS89214 [0,0,0,1,0,0|3,0,0]=4 531 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,0,0,1,0,0|2,0,1]=4 532 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,0,0,1,0,0|2,0,1]=4 533 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,0,0,1,0,0|1,0,2]=4 534 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,0,0,1,0,0|1,0,2]=4 535 B8R1.10 CCCOC1CNC1 TS41075 [0,0,0,1,0,0|2,0,1]=4 536 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,0,0,1,0,0|1,0,2]=4 537 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,0,0,1,0,0|2,0,0]=3 538 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,1,0,0|1,0,1]=3 539 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,0,1,0,0|1,0,0]=2 540 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,0,1,0,0|1,0,0]=2 541 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,1,0,0|0,0,0]=1 542 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,0,0,1,0,0|1,1,0]=3 543 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,1,0,0|1,0,0]=2 544 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,1,0,0|2,0,1]=4 545 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,1,0,0|2,0,1]=4 546 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,1,0,0|2,0,1]=4 547 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,1,0,0|1,0,2]=4 548 B8R1.22 C1CCCN(CC1)N TS04497 [0,0,0,1,0,0|3,0,0]=4 549 B8R1.22 C1CCNC(=S)NC1 TS05580 [0,0,0,1,0,0|2,1,0]=4 550 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,0,0,1,0,0|2,0,0]=3 551 B8R1.22 C1COCC(=O)CO1 TS32190 [0,0,0,1,0,0|3,0,0]=4 552 B8R1.22 C1COCCNC1=O TS04534 [0,0,0,1,0,0|2,0,0]=3 553 B8R1.22 C=C1OCCCCO1 TS04434 [0,0,0,1,0,0|2,0,0]=3 554 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,1,0,0|2,0,0]=3 555 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,1,0,0|2,0,1]=4 556 B8R1.22 CC1OCCCCO1 TS32214 [0,0,0,1,0,0|2,0,1]=4 557 B8R1.22 CN1CCCCCC1 TS32032 [0,0,0,1,0,0|3,0,0]=4 558 B8R1.38 C1CC(C1)C(=O)NN TS90294 [0,0,0,1,0,0|3,0,0]=4 559 B8R1.38 COC(=O)C1CCC1 TS32060 [0,0,0,1,0,0|2,0,0]=3 560 B8R1.38 COC(=O)C1CCN1 TS01748 [0,0,0,1,0,0|3,0,0]=4 561 B8R1.38 COC(=O)C1CNC1 TS41065 [0,0,0,1,0,0|3,0,0]=4 562 B8R1.38 COC(=O)[C@@H]1CCN1 TS86979 [0,0,0,1,0,0|3,0,0]=4 563 B8R1.38 COC(=O)[C@H]1CCN1 TS91415 [0,0,0,1,0,0|3,0,0]=4 564 B8R1.40 C1CC1NC(=O)CCl TS36794 [0,0,0,1,0,0|2,0,0]=3 565 B8R1.40 C1CC1NC(=O)CN TS09977 [0,0,0,1,0,0|2,0,0]=3 566 B8R1.40 C1CC1NC(=O)CN TS32079 [0,0,0,1,0,0|2,0,0]=3 567 B8R1.40 COC(=O)CC1CC1 TS88176 [0,0,0,1,0,0|2,0,0]=3 568 B8R1.40 COC(=O)NC1CC1 TS04530 [0,0,0,1,0,0|2,0,0]=3 569 B8R1.50 C1C(=O)C(C(=O)O1)Cl TS05937 [0,0,0,1,0,0|2,0,1]=4 570 B8R1.50 C1[C@H]([C@H](C(=O)O1)O)O TS04694 [0,0,0,1,0,0|2,0,0]=3 571 B8R1.50 CC1C(=NNC1=O)C TS04293 [0,0,0,1,0,0|2,0,1]=4 572 B8R1.50 CC1C(=O)CCC1=O TS04283 [0,0,0,1,0,0|2,0,1]=4 573 B8R1.50 CC1CCC(=C1C)C TS31847 [0,0,0,1,0,0|2,0,1]=4 574 B8R1.50 CC1CCC(=O)N1C TS04391 [0,0,0,1,0,0|2,0,0]=3 575 B8R1.50 CN1C(CCC1=O)O TS04533 [0,0,0,1,0,0|3,0,0]=4 576 B8R1.50 C[C@H]1[C@@H]([C@@H](CC1)C)C TS04338 [0,0,0,1,0,0|2,0,1]=4 577 B8R1.52 CC1(CCCO1)CN TS86672 [0,0,0,1,0,0|2,0,1]=4 578 B8R1.52 CCC1(CCCC1)C TS04357 [0,0,0,1,0,0|2,0,1]=4 579 B8R1.52 CCC1(CCCC1)O TS39600 [0,0,0,1,0,0|1,0,2]=4 580 B8R1.52 CCC1(OCCO1)C TS04593 [0,0,0,1,0,0|2,0,1]=4 581 B8R1.52 CC[N+]1(CCCC1)C TS16336 [0,0,0,1,0,0|3,0,0]=4 582 B5R0.1 C(CBr)C(=O)N TS10109 [2,0,0,0,0,0|2,0,0]=4 583 B5R0.1 C(CBr)C(=O)O TS09493 [2,0,0,0,0,0|2,0,0]=4 584 B5R0.1 C(CCl)C(=O)Cl TS00146 [2,0,0,0,0,0|2,0,0]=4 585 B5R0.1 C(CCl)C(=O)N TS04118 [2,0,0,0,0,0|2,0,0]=4 586 B5R0.1 C(CCl)C(=O)O TS04159 [2,0,0,0,0,0|2,0,0]=4 587 B5R0.1 C(CI)C(=O)O TS18918 [2,0,0,0,0,0|2,0,0]=4 588 B5R0.1 C(CN)C(=O)N TS36032 [2,0,0,0,0,0|2,0,0]=4 589 B5R0.1 C(CN)C(=O)O TS02667 [2,0,0,0,0,0|2,0,0]=4 590 B5R0.1 C(CO)C(=O)O TS16373 [2,0,0,0,0,0|2,0,0]=4 591 B5R0.1 C(CS)C(=O)O TS04091 [2,0,0,0,0,0|2,0,0]=4 592 B5R0.1 C(OC(=O)Cl)Cl TS36381 [2,0,0,0,0,0|2,0,0]=4 593 B5R0.1 CC(=C)CCO TS71766 [2,0,0,0,0,0|2,0,0]=4 594 B5R0.1 CC(=O)CC#N TS04063 [2,0,0,0,0,0|1,0,1]=4 595 B5R0.1 CC(=O)CCO TS39752 [2,0,0,0,0,0|1,0,0]=3 596 B5R0.1 CC(=O)CCS TS31678 [2,0,0,0,0,0|1,0,0]=3 597 B5R0.1 CC(=O)COC TS03573 [2,0,0,0,0,0|1,0,0]=3 598 B5R0.1 CC(=O)CSC TS31685 [2,0,0,0,0,0|1,0,0]=3 599 B5R0.1 CC(=O)NCO TS08902 [2,0,0,0,0,0|2,0,0]=4 600 B5R0.1 CC(=O)NSC TS31708 [2,0,0,0,0,0|2,0,0]=4 601 B5R0.1 CC(=O)OC=C TS03528 [2,0,0,0,0,0|0,0,2]=4 602 B5R0.1 CC(=O)OC=O TS71794 [2,0,0,0,0,0|1,0,1]=4 603 B5R0.1 CC(=O)OCBr TS16534 [2,0,0,0,0,0|1,0,0]=3 604 B5R0.1 CC(=O)OCCl TS55809 [2,0,0,0,0,0|1,0,0]=3 605 B5R0.1 CC(=O)O[Hg]C TS30965 [2,0,0,0,0,0|1,0,0]=3 606 B5R0.1 CC=CC(=O)C TS03499 [2,0,0,0,0,0|0,0,2]=4 607 B5R0.1 CCC=C(C)C TS71718 [2,0,0,0,0,0|1,0,1]=4 608 B5R0.1 CCCC(=C)C TS71722 [2,0,0,0,0,0|1,0,0]=3 609 B5R0.1 CCCC(=N)N TS03542 [2,0,0,0,0,0|2,0,0]=4 610 B5R0.1 CCCC(=N)N TS04952 [2,0,0,0,0,0|2,0,0]=4 611 B5R0.1 CCCC(=O)Br TS40964 [2,0,0,0,0,0|1,0,0]=3 612 B5R0.1 CCCC(=O)C TS71754 [2,0,0,0,0,0|0,0,0]=2 613 B5R0.1 CCCC(=O)Cl TS16539 [2,0,0,0,0,0|1,0,0]=3 614 B5R0.1 CCCC(=O)N TS03561 [2,0,0,0,0,0|1,0,0]=3 615 B5R0.1 CCCC(=O)O TS03572 [2,0,0,0,0,0|1,0,0]=3 616 B5R0.1 CCCC(=O)O TS63934 [2,0,0,0,0,0|1,0,0]=3 617 B5R0.1 CCCC(=O)[O-] TS04184 [2,0,0,0,0,0|1,0,0]=3 618 B5R0.1 CCCC(=O)[O-] TS04232 [2,0,0,0,0,0|1,0,0]=3 619 B5R0.1 CCCC(=O)[O-] TS44539 [2,0,0,0,0,0|1,0,0]=3 620 B5R0.1 CCCC(=S)Cl TS37257 [2,0,0,0,0,0|1,1,0]=4 621 B5R0.1 CCCC(=S)O TS04825 [2,0,0,0,0,0|1,0,1]=4 622 B5R0.1 CCCC(C)Br TS09989 [2,0,0,0,0,0|1,0,1]=4 623 B5R0.1 CCCC(C)Cl TS31741 [2,0,0,0,0,0|1,0,1]=4 624 B5R0.1 CCCC(C)I TS18550 [2,0,0,0,0,0|1,0,1]=4 625 B5R0.1 CCCC(C)O TS03596 [2,0,0,0,0,0|0,0,2]=4 626 B5R0.1 CCCC(C)S TS31692 [2,0,0,0,0,0|0,1,1]=4 627 B5R0.1 CCCC(C)[Zn+] TS49166 [2,0,0,0,0,0|1,0,1]=4 628 B5R0.1 CCCN(C)C TS71775 [2,0,0,0,0,0|2,0,0]=4 629 B5R0.1 CCC[C@@H](C)O TS71801 [2,0,0,0,0,0|0,0,2]=4 630 B5R0.1 CCC[C@H](C)O TS71800 [2,0,0,0,0,0|0,0,2]=4 631 B5R0.1 CCC[N+](=O)[O-] TS71821 [2,0,0,0,0,0|2,0,0]=4 632 B5R0.1 CCNC(=O)C TS03563 [2,0,0,0,0,0|1,0,0]=3 633 B5R0.1 CCNC(=O)N TS03591 [2,0,0,0,0,0|2,0,0]=4 634 B5R0.1 CCOC(=C)C TS71753 [2,0,0,0,0,0|1,0,0]=3 635 B5R0.1 CCOC(=O)C TS03585 [2,0,0,0,0,0|0,0,0]=2 636 B5R0.1 CCOC(=O)C TS03625 [2,0,0,0,0,0|0,0,0]=2 637 B5R0.1 CCOC(=O)C TS71827 [2,0,0,0,0,0|0,0,0]=2 638 B5R0.1 CCOC(=O)Cl TS56143 [2,0,0,0,0,0|1,0,0]=3 639 B5R0.1 CCOC(=O)N TS59479 [2,0,0,0,0,0|1,0,0]=3 640 B5R0.1 CCOC(=S)C TS31684 [2,0,0,0,0,0|0,1,0]=3 641 B5R0.1 CCOC(=S)Cl TS36034 [2,0,0,0,0,0|1,1,0]=4 642 B5R0.1 CCOC(C)C TS03595 [2,0,0,0,0,0|1,0,1]=4 643 B5R0.1 CCOC(C)Cl TS04164 [2,0,0,0,0,0|1,0,1]=4 644 B5R0.1 CCO[SiH](C)C TS04048 [2,0,0,0,0,0|1,1,0]=4 645 B5R0.1 CCSC(=S)C TS32440 [2,0,0,0,0,0|0,2,0]=4 646 B5R0.1 CNCC(=O)N TS36031 [2,0,0,0,0,0|2,0,0]=4 647 B5R0.1 CNCC(=O)O TS34582 [2,0,0,0,0,0|2,0,0]=4 648 B5R0.1 CNCC(=O)O TS36080 [2,0,0,0,0,0|2,0,0]=4 649 B5R0.1 CNCC(=O)[O-] TS04231 [2,0,0,0,0,0|2,0,0]=4 650 B5R0.1 COCC(=O)O TS03620 [2,0,0,0,0,0|2,0,0]=4 651 B5R0.1 CSCC(=O)N TS93570 [2,0,0,0,0,0|2,0,0]=4 652 B5R0.1 CSCS(=O)C TS05065 [2,0,0,0,0,0|2,0,0]=4 653 B5R0.2 C(C#N)OC=O TS71729 [2,0,0,0,0,0|1,0,1]=4 654 B5R0.2 C(CBr)OCCl TS45688 [2,0,0,0,0,0|2,0,0]=4 655 B5R0.2 C(CCl)OCCl TS36384 [2,0,0,0,0,0|2,0,0]=4 656 B5R0.2 C=CCOC=O TS71740 [2,0,0,0,0,0|0,0,2]=4 657 B5R0.2 C=COCCO TS03575 [2,0,0,0,0,0|1,0,1]=4 658 B5R0.2 CC=CCCO TS71749 [2,0,0,0,0,0|1,0,1]=4 659 B5R0.2 CCC#CCC TS71689 [2,0,0,0,0,0|0,0,2]=4 660 B5R0.2 CCC=CC=O TS03498 [2,0,0,0,0,0|1,0,1]=4 661 B5R0.2 CCCC#CC TS71682 [2,0,0,0,0,0|0,0,2]=4 662 B5R0.2 CCCC=NO TS03560 [2,0,0,0,0,0|2,0,0]=4 663 B5R0.2 CCCCC=C TS71713 [2,0,0,0,0,0|1,0,1]=4 664 B5R0.2 CCCCC=O TS71764 [2,0,0,0,0,0|1,0,0]=3 665 B5R0.2 CCCCCBr TS00039 [2,0,0,0,0,0|1,0,1]=4 666 B5R0.2 CCCCCCl TS31742 [2,0,0,0,0,0|1,0,1]=4 667 B5R0.2 CCCCCF TS71848 [2,0,0,0,0,0|1,0,1]=4 668 B5R0.2 CCCCCI TS18547 [2,0,0,0,0,0|1,0,1]=4 669 B5R0.2 CCCCCN TS71782 [2,0,0,0,0,0|1,0,1]=4 670 B5R0.2 CCCCCO TS46186 [2,0,0,0,0,0|1,0,1]=4 671 B5R0.2 CCCCCO TS71798 [2,0,0,0,0,0|1,0,1]=4 672 B5R0.2 CCCCCS TS31699 [2,0,0,0,0,0|1,0,1]=4 673 B5R0.2 CCCCC[Si] TS03986 [2,0,0,0,0,0|0,1,1]=4 674 B5R0.2 CCCCC[Zn+] TS49168 [2,0,0,0,0,0|1,0,1]=4 675 B5R0.2 CCCCNC TS71774 [2,0,0,0,0,0|1,0,1]=4 676 B5R0.2 CCCCSC TS31691 [2,0,0,0,0,0|1,0,1]=4 677 B5R0.2 CCCC[Sn]=O TS17583 [2,0,0,0,0,0|2,0,0]=4 678 B5R0.2 CCCN=C=O TS03505 [2,0,0,0,0,0|1,0,1]=4 679 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,0]=3 680 B5R0.2 CCCOC=C TS29507 [2,0,0,0,0,0|0,0,1]=3 681 B5R0.2 CCCOC=O TS03584 [2,0,0,0,0,0|0,0,0]=2 682 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|0,0,0]=2 683 B5R0.2 CCCOCCl TS04165 [2,0,0,0,0,0|1,0,0]=3 684 B5R0.2 CCCON=O TS71824 [2,0,0,0,0,0|1,0,0]=3 685 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|0,1,0]=3 686 B5R0.2 CCCSSC TS04934 [2,0,0,0,0,0|1,1,0]=4 687 B5R0.2 CCN=NCC TS03539 [2,0,0,0,0,0|2,0,0]=4 688 B5R0.2 CCNCCN TS71809 [2,0,0,0,0,0|2,0,0]=4 689 B5R0.2 CCNCCO TS00085 [2,0,0,0,0,0|2,0,0]=4 690 B5R0.2 CCNNCC TS11360 [2,0,0,0,0,0|2,0,0]=4 691 B5R0.2 CCNNCC TS71806 [2,0,0,0,0,0|2,0,0]=4 692 B5R0.2 CCOC=CBr TS40963 [2,0,0,0,0,0|1,0,1]=4 693 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|0,0,1]=3 694 B5R0.2 CCOCC=C TS71744 [2,0,0,0,0,0|0,0,2]=4 695 B5R0.2 CCOCCBr TS10269 [2,0,0,0,0,0|1,0,0]=3 696 B5R0.2 CCOCCCl TS04162 [2,0,0,0,0,0|1,0,0]=3 697 B5R0.2 CCOCCO TS71837 [2,0,0,0,0,0|1,0,0]=3 698 B5R0.2 CCSCCBr TS44968 [2,0,0,0,0,0|1,1,0]=4 699 B5R0.2 CCSCCCl TS36036 [2,0,0,0,0,0|1,1,0]=4 700 B5R0.2 CCSCCN TS31712 [2,0,0,0,0,0|1,1,0]=4 701 B5R0.2 CCSCCN TS37539 [2,0,0,0,0,0|1,1,0]=4 702 B5R0.2 CCSCCO TS59769 [2,0,0,0,0,0|1,1,0]=4 703 B5R0.2 CCSSCC TS59782 [2,0,0,0,0,0|1,1,0]=4 704 B5R0.2 CC[Se][Se]CC TS44786 [2,0,0,0,0,0|1,1,0]=4 705 B5R0.3 C(C(=O)CBr)Br TS21961 [2,0,0,0,0,0|2,0,0]=4 706 B5R0.3 C(C(=O)CCl)Cl TS36200 [2,0,0,0,0,0|2,0,0]=4 707 B5R0.3 C(C(=O)CF)F TS03661 [2,0,0,0,0,0|2,0,0]=4 708 B5R0.3 C(C(=O)CI)I TS60842 [2,0,0,0,0,0|2,0,0]=4 709 B5R0.3 C(C(=O)CN)N TS11357 [2,0,0,0,0,0|2,0,0]=4 710 B5R0.3 C(C(=O)CO)O TS46803 [2,0,0,0,0,0|2,0,0]=4 711 B5R0.3 CCC(=C)CC TS71714 [2,0,0,0,0,0|1,0,0]=3 712 B5R0.3 CCC(=O)C=C TS03496 [2,0,0,0,0,0|0,0,2]=4 713 B5R0.3 CCC(=O)C=O TS03524 [2,0,0,0,0,0|1,0,1]=4 714 B5R0.3 CCC(=O)CBr TS00020 [2,0,0,0,0,0|1,0,0]=3 715 B5R0.3 CCC(=O)CC TS00240 [2,0,0,0,0,0|0,0,0]=2 716 B5R0.3 CCC(=O)CCl TS31736 [2,0,0,0,0,0|1,0,0]=3 717 B5R0.3 CCC(=O)CO TS05538 [2,0,0,0,0,0|1,0,0]=3 718 B5R0.3 CCC(=O)NC TS03562 [2,0,0,0,0,0|1,0,0]=3 719 B5R0.3 CCC(=O)NN TS03589 [2,0,0,0,0,0|2,0,0]=4 720 B5R0.3 CCC(=O)OC TS03587 [2,0,0,0,0,0|0,0,0]=2 721 B5R0.3 CCC(=S)OC TS31680 [2,0,0,0,0,0|0,1,0]=3 722 B5R0.3 CCC(C)CC TS03546 [2,0,0,0,0,0|1,0,1]=4 723 B5R0.3 CCC(C)OC TS71803 [2,0,0,0,0,0|1,0,1]=4 724 B5R0.3 CCC(CC)Br TS09988 [2,0,0,0,0,0|1,0,1]=4 725 B5R0.3 CCC(CC)Cl TS31745 [2,0,0,0,0,0|1,0,1]=4 726 B5R0.3 CCC(CC)F TS71849 [2,0,0,0,0,0|1,0,1]=4 727 B5R0.3 CCC(CC)I TS18549 [2,0,0,0,0,0|1,0,1]=4 728 B5R0.3 CCC(CC)N TS00440 [2,0,0,0,0,0|1,0,1]=4 729 B5R0.3 CCC(CC)O TS00239 [2,0,0,0,0,0|0,0,2]=4 730 B5R0.3 CCC(CC)[Zn+] TS49169 [2,0,0,0,0,0|1,0,1]=4 731 B5R0.3 CCN(C)CC TS71781 [2,0,0,0,0,0|2,0,0]=4 732 B5R0.3 CCN(CC)O TS03599 [2,0,0,0,0,0|1,0,1]=4 733 B5R0.3 CCP(CC)Cl TS36025 [2,0,0,0,0,0|2,0,0]=4 734 B5R0.3 CCS(=O)CC TS04104 [2,0,0,0,0,0|1,0,0]=3 735 B5R0.3 CC[Al](CC)Cl TS27650 [2,0,0,0,0,0|2,0,0]=4 736 B5R0.3 CC[SiH](C)CC TS03988 [2,0,0,0,0,0|1,1,0]=4 737 B5R0.3 CC[Sn](=O)CC TS17584 [2,0,0,0,0,0|1,0,0]=3 738 B5R0.3 CNC(=O)CCl TS04119 [2,0,0,0,0,0|2,0,0]=4 739 B5R0.3 CNC(=O)CN TS36033 [2,0,0,0,0,0|2,0,0]=4 740 B5R0.3 CNC(=O)NC TS08682 [2,0,0,0,0,0|2,0,0]=4 741 B5R0.3 COC(=O)C#C TS01555 [2,0,0,0,0,0|0,0,2]=4 742 B5R0.3 COC(=O)C#N TS71728 [2,0,0,0,0,0|1,0,1]=4 743 B5R0.3 COC(=O)C=C TS03529 [2,0,0,0,0,0|0,0,2]=4 744 B5R0.3 COC(=O)C=O TS65230 [2,0,0,0,0,0|1,0,1]=4 745 B5R0.3 COC(=O)CBr TS08895 [2,0,0,0,0,0|1,0,0]=3 746 B5R0.3 COC(=O)CCl TS39826 [2,0,0,0,0,0|1,0,0]=3 747 B5R0.3 COC(=O)CF TS65235 [2,0,0,0,0,0|1,0,0]=3 748 B5R0.3 COC(=O)CN TS36079 [2,0,0,0,0,0|1,0,0]=3 749 B5R0.3 COC(=O)CN TS93910 [2,0,0,0,0,0|1,0,0]=3 750 B5R0.3 COC(=O)CO TS03617 [2,0,0,0,0,0|1,0,0]=3 751 B5R0.3 COC(=O)CS TS39888 [2,0,0,0,0,0|1,0,0]=3 752 B5R0.3 COC(=O)NN TS65196 [2,0,0,0,0,0|2,0,0]=4 753 B5R0.3 COC(=O)OC TS33240 [2,0,0,0,0,0|1,0,0]=3 754 B5R0.3 COC(=O)SCl TS36190 [2,0,0,0,0,0|2,0,0]=4 755 B5R0.3 COS(=O)OC TS31831 [2,0,0,0,0,0|2,0,0]=4 756 B5R0.3 CSC(=O)SC TS04928 [2,0,0,0,0,0|1,1,0]=4 757 B7R0.2 CC(=O)CC(=O)NC TS04520 [1,1,0,0,0,0|1,0,1]=4 758 B7R0.2 CC(=O)CC(=O)OC TS32187 [1,1,0,0,0,0|1,0,1]=4 759 B7R0.2 CC(C)CC(=O)OC TS04588 [1,1,0,0,0,0|1,0,0]=3 760 B7R0.2 CC(C)CC(=O)SC TS05775 [1,1,0,0,0,0|1,0,0]=3 761 B7R0.2 CC(C)NC(=O)CCl TS06023 [1,1,0,0,0,0|2,0,0]=4 762 B7R0.2 CC(C)OC(=O)C=C TS32061 [1,1,0,0,0,0|0,0,2]=4 763 B7R0.2 CC(C)OC(=O)CCl TS37073 [1,1,0,0,0,0|1,0,0]=3 764 B7R0.2 CC(C)OC(=O)CN TS41311 [1,1,0,0,0,0|1,0,0]=3 765 B7R0.2 CC(C)OC(=O)CO TS32323 [1,1,0,0,0,0|1,0,0]=3 766 B7R0.2 CC(C)OC(=O)CS TS05924 [1,1,0,0,0,0|1,0,0]=3 767 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,1,0,0,0,0|1,0,0]=3 768 B7R0.2 CCC(=C)CC(C)C TS04352 [1,1,0,0,0,0|1,0,0]=3 769 B7R0.2 CCC(=O)CC(=O)C TS00653 [1,1,0,0,0,0|0,0,1]=3 770 B7R0.2 CCC(=O)CC(C)C TS32113 [1,1,0,0,0,0|0,0,0]=2 771 B7R0.2 CCC(C)CC(C)C TS04502 [1,1,0,0,0,0|1,0,1]=4 772 B7R0.2 CCC(C)CC(C)N TS04563 [1,1,0,0,0,0|1,0,1]=4 773 B7R0.2 CCC(C)CC(C)N TS10102 [1,1,0,0,0,0|1,0,1]=4 774 B7R0.2 CCC(C)CC(C)O TS32253 [1,1,0,0,0,0|1,0,1]=4 775 B7R0.2 CCC(CC(C)C)O TS32246 [1,1,0,0,0,0|0,0,2]=4 776 B7R0.2 CCC(CC(C)O)O TS32344 [1,1,0,0,0,0|0,0,2]=4 777 B7R0.2 CN(C)CC(=O)OC TS04665 [1,1,0,0,0,0|2,0,0]=4 778 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,1,0,0,0,0|1,0,0]=3 779 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,1,0,0,0,0|1,0,0]=3 780 B7R0.5 CC(C)C(=O)CC#N TS60063 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.5 CCC=C(C)C(C)C TS31953 [1,1,0,0,0,0|1,0,1]=4 782 B7R0.5 CCC=C(C)C(C)O TS04482 [1,1,0,0,0,0|1,0,1]=4 783 B7R0.5 CCCC(=C(C)C)C TS04362 [1,1,0,0,0,0|1,0,1]=4 784 B7R0.5 CCCC(=C)C(C)C TS04341 [1,1,0,0,0,0|1,0,0]=3 785 B7R0.5 CCCC(=O)C(=O)C TS32062 [1,1,0,0,0,0|0,0,1]=3 786 B7R0.5 CCCC(=O)C(=O)O TS32183 [1,1,0,0,0,0|1,0,1]=4 787 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [1,1,0,0,0,0|1,0,1]=4 788 B7R0.5 CCCC(=O)C(C)C TS32114 [1,1,0,0,0,0|0,0,0]=2 789 B7R0.5 CCCC(=O)N(C)C TS32149 [1,1,0,0,0,0|1,0,0]=3 790 B7R0.5 CCCC(C(C)Br)Br TS61926 [1,1,0,0,0,0|1,0,1]=4 791 B7R0.5 CCCC(C(C)C)O TS32239 [1,1,0,0,0,0|0,0,2]=4 792 B7R0.5 CCCC(C)C(C)C TS04507 [1,1,0,0,0,0|1,0,1]=4 793 B7R0.5 CCCC(C)C(C)O TS32245 [1,1,0,0,0,0|1,0,1]=4 794 B7R0.5 CCNC(=O)C(=C)C TS04389 [1,1,0,0,0,0|1,0,1]=4 795 B7R0.5 CCOC(=O)C(=C)Br TS47658 [1,1,0,0,0,0|0,0,2]=4 796 B7R0.5 CCOC(=O)C(=C)C TS00098 [1,1,0,0,0,0|0,0,1]=3 797 B7R0.5 CCOC(=O)C(=O)C TS01478 [1,1,0,0,0,0|0,0,1]=3 798 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.5 CCOC(=O)C(=O)N TS32272 [1,1,0,0,0,0|1,0,1]=4 800 B7R0.5 CCOC(=O)C(Br)Br TS27397 [1,1,0,0,0,0|1,0,0]=3 801 B7R0.5 CCOC(=O)C(C)Br TS55906 [1,1,0,0,0,0|0,0,0]=2 802 B7R0.5 CCOC(=O)C(C)C TS32217 [1,1,0,0,0,0|0,0,0]=2 803 B7R0.5 CCOC(=O)C(C)Cl TS55916 [1,1,0,0,0,0|0,0,0]=2 804 B7R0.5 CCOC(=O)C(C)F TS32420 [1,1,0,0,0,0|0,0,0]=2 805 B7R0.5 CCOC(=O)C(C)N TS55877 [1,1,0,0,0,0|0,0,0]=2 806 B7R0.5 CCOC(=O)C(C)O TS04714 [1,1,0,0,0,0|0,0,0]=2 807 B7R0.5 CCOC(=O)C(C)S TS05920 [1,1,0,0,0,0|0,0,0]=2 808 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [1,1,0,0,0,0|1,0,0]=3 809 B7R0.5 CCOC(=O)C(F)Br TS15410 [1,1,0,0,0,0|1,0,0]=3 810 B7R0.5 CCOC(=O)C(F)Cl TS37443 [1,1,0,0,0,0|1,0,0]=3 811 B7R0.5 CCOC(=O)C(F)F TS39847 [1,1,0,0,0,0|1,0,0]=3 812 B7R0.5 CCOC(=O)C(F)I TS53245 [1,1,0,0,0,0|1,0,0]=3 813 B7R0.5 CCOC(=O)N(Cl)Cl TS10930 [1,1,0,0,0,0|2,0,0]=4 814 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [1,1,0,0,0,0|0,0,0]=2 815 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [1,1,0,0,0,0|0,0,0]=2 816 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [1,1,0,0,0,0|0,0,0]=2 817 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [1,1,0,0,0,0|0,0,0]=2 818 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [1,1,0,0,0,0|0,0,0]=2 819 B7R0.7 C(CCl)C(=O)CCCl TS46816 [1,1,0,0,0,0|1,0,0]=3 820 B7R0.7 C(CO)C(=O)CCO TS04717 [1,1,0,0,0,0|1,0,0]=3 821 B7R0.7 C(CS(=O)CCO)O TS06287 [1,1,0,0,0,0|2,0,0]=4 822 B7R0.7 C(OC(=O)OCCl)Cl TS42012 [1,1,0,0,0,0|2,0,0]=4 823 B7R0.7 CCCC(=CCC)C TS31954 [1,1,0,0,0,0|1,0,0]=3 824 B7R0.7 CCCC(=O)CCC TS32100 [1,1,0,0,0,0|0,0,0]=2 825 B7R0.7 CCCC(=O)OC=C TS04453 [1,1,0,0,0,0|0,0,2]=4 826 B7R0.7 CCCC(=O)OCC TS32219 [1,1,0,0,0,0|0,0,0]=2 827 B7R0.7 CCCC(=O)OCCl TS55810 [1,1,0,0,0,0|1,0,0]=3 828 B7R0.7 CCCC(=S)OCC TS05779 [1,1,0,0,0,0|0,1,0]=3 829 B7R0.7 CCCC(=S)OCC TS07488 [1,1,0,0,0,0|0,1,0]=3 830 B7R0.7 CCCC(C)CCC TS04512 [1,1,0,0,0,0|1,0,1]=4 831 B7R0.7 CCCC(C)CCO TS32249 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.7 CCCC(C)OCC TS32250 [1,1,0,0,0,0|1,0,1]=4 833 B7R0.7 CCCC(CCC)Br TS14339 [1,1,0,0,0,0|1,0,1]=4 834 B7R0.7 CCCC(CCC)Cl TS36889 [1,1,0,0,0,0|1,0,1]=4 835 B7R0.7 CCCC(CCC)N TS02992 [1,1,0,0,0,0|1,0,1]=4 836 B7R0.7 CCCC(CCC)O TS04625 [1,1,0,0,0,0|0,0,2]=4 837 B7R0.7 CCCC(CCC)[Zn+] TS62077 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.7 CCCC(CCO)S TS36876 [1,1,0,0,0,0|0,1,1]=4 839 B7R0.7 CCCN(C)CCC TS04549 [1,1,0,0,0,0|2,0,0]=4 840 B7R0.7 CCCS(=O)CCC TS36875 [1,1,0,0,0,0|1,0,0]=3 841 B7R0.7 CCC[C@@H](C)CCO TS32231 [1,1,0,0,0,0|1,0,1]=4 842 B7R0.7 CCNC(=O)NCC TS04609 [1,1,0,0,0,0|1,0,0]=3 843 B7R0.7 CCNC(=O)OCC TS04671 [1,1,0,0,0,0|0,0,0]=2 844 B7R0.7 CCNC(=S)NCC TS05780 [1,1,0,0,0,0|1,1,0]=4 845 B7R0.7 CCOC(=C)OCC TS56207 [1,1,0,0,0,0|1,0,0]=3 846 B7R0.7 CCOC(=O)C#CC TS08727 [1,1,0,0,0,0|0,0,1]=3 847 B7R0.7 CCOC(=O)C=CC TS04436 [1,1,0,0,0,0|0,0,1]=3 848 B7R0.7 CCOC(=O)C=CI TS52258 [1,1,0,0,0,0|0,0,2]=4 849 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [1,1,0,0,0,0|1,0,1]=4 850 B7R0.7 CCOC(=O)CC#C TS31911 [1,1,0,0,0,0|0,0,1]=3 851 B7R0.7 CCOC(=O)CC#N TS32007 [1,1,0,0,0,0|0,0,1]=3 852 B7R0.7 CCOC(=O)CC=C TS04444 [1,1,0,0,0,0|0,0,1]=3 853 B7R0.7 CCOC(=O)CCBr TS08511 [1,1,0,0,0,0|0,0,0]=2 854 B7R0.7 CCOC(=O)CCCl TS66003 [1,1,0,0,0,0|0,0,0]=2 855 B7R0.7 CCOC(=O)CCI TS56139 [1,1,0,0,0,0|0,0,0]=2 856 B7R0.7 CCOC(=O)CCN TS01886 [1,1,0,0,0,0|0,0,0]=2 857 B7R0.7 CCOC(=O)CCN TS04667 [1,1,0,0,0,0|0,0,0]=2 858 B7R0.7 CCOC(=O)CCS TS05923 [1,1,0,0,0,0|0,0,0]=2 859 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [1,1,0,0,0,0|0,0,0]=2 860 B7R0.7 CCOC(=O)CNC TS01479 [1,1,0,0,0,0|0,0,0]=2 861 B7R0.7 CCOC(=O)CNN TS56149 [1,1,0,0,0,0|1,0,0]=3 862 B7R0.7 CCOC(=O)COC TS32327 [1,1,0,0,0,0|0,0,0]=2 863 B7R0.7 CCOC(=O)CSC TS05917 [1,1,0,0,0,0|0,0,0]=2 864 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [1,1,0,0,0,0|0,0,1]=3 865 B7R0.7 CCOC(=O)N=C=O TS08726 [1,1,0,0,0,0|1,0,1]=4 866 B7R0.7 CCOC(=O)N=C=S TS08471 [1,1,0,0,0,0|1,0,1]=4 867 B7R0.7 CCOC(=O)NOC TS32378 [1,1,0,0,0,0|1,0,0]=3 868 B7R0.7 CCOC(=O)OCC TS32315 [1,1,0,0,0,0|0,0,0]=2 869 B7R0.7 CCOC(=O)OCCl TS37245 [1,1,0,0,0,0|1,0,0]=3 870 B7R0.7 CCOC(C)OCC TS04742 [1,1,0,0,0,0|1,0,1]=4 871 B7R0.7 CCOC(OCC)[SiH3] TS36880 [1,1,0,0,0,0|1,0,1]=4 872 B7R0.7 CCOP(C)OCC TS36977 [1,1,0,0,0,0|2,0,0]=4 873 B7R0.7 CCOP(OCC)Cl TS10785 [1,1,0,0,0,0|2,0,0]=4 874 B7R0.7 CCOP([O-])OCC TS01437 [1,1,0,0,0,0|1,0,1]=4 875 B7R0.7 CCOS(=O)OCC TS06288 [1,1,0,0,0,0|1,0,0]=3 876 B7R0.7 CCSC(=O)SCC TS40933 [1,1,0,0,0,0|0,1,0]=3 877 B7R0.10 CC(C(=O)OC)OC TS32317 [1,1,0,0,0,0|2,0,0]=4 878 B7R0.10 CC(C(=O)OC)SC TS05922 [1,1,0,0,0,0|2,0,0]=4 879 B7R0.10 CCC(=C(C)CC)C TS04354 [1,1,0,0,0,0|1,0,1]=4 880 B7R0.10 CCC(=C(C)CC)C TS31959 [1,1,0,0,0,0|1,0,1]=4 881 B7R0.10 CCC(C(=O)CC)O TS32221 [1,1,0,0,0,0|0,0,0]=2 882 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,1,0,0,0,0|1,0,0]=3 883 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,1,0,0,0,0|1,0,0]=3 884 B7R0.10 CCC(C(=O)OC)N TS41307 [1,1,0,0,0,0|1,0,0]=3 885 B7R0.10 CCC(C(CC)Br)Br TS61927 [1,1,0,0,0,0|1,0,1]=4 886 B7R0.10 CCC(C)C(=C)CC TS04351 [1,1,0,0,0,0|1,0,0]=3 887 B7R0.10 CCC(C)C(=CC)C TS04350 [1,1,0,0,0,0|1,0,1]=4 888 B7R0.10 CCC(C)C(=O)CC TS04477 [1,1,0,0,0,0|0,0,0]=2 889 B7R0.10 CCC(C)C(=O)OC TS04590 [1,1,0,0,0,0|1,0,0]=3 890 B7R0.10 CCC(C)C(=O)SC TS05776 [1,1,0,0,0,0|1,0,0]=3 891 B7R0.10 CCC(C)C(C)CC TS04508 [1,1,0,0,0,0|1,0,1]=4 892 B7R0.10 CCC(C)C(CC)O TS04626 [1,1,0,0,0,0|0,0,2]=4 893 B7R0.10 COC(=O)C(CBr)Br TS27392 [1,1,0,0,0,0|2,0,0]=4 894 B7R0.10 COC(=O)C(CCl)Cl TS10813 [1,1,0,0,0,0|2,0,0]=4 895 B7R0.10 COC(=O)C(CCl)N TS08717 [1,1,0,0,0,0|2,0,0]=4 896 B7R0.10 COC(=O)C(CO)Cl TS37246 [1,1,0,0,0,0|2,0,0]=4 897 B7R0.10 COC(=O)C(CO)N TS47365 [1,1,0,0,0,0|2,0,0]=4 898 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [1,1,0,0,0,0|2,0,0]=4 899 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [1,1,0,0,0,0|2,0,0]=4 900 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [1,1,0,0,0,0|2,0,0]=4 901 B7R0.10 COC(=O)[C@H](CO)N TS46686 [1,1,0,0,0,0|2,0,0]=4 902 B7R0.10 COC(=O)[C@H](CS)N TS64915 [1,1,0,0,0,0|2,0,0]=4 903 B7R0.10 COC(C(=O)OC)O TS01782 [1,1,0,0,0,0|2,0,0]=4 904 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [1,1,0,0,0,0|2,0,0]=4 905 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [1,1,0,0,0,0|2,0,0]=4 906 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [1,1,0,0,0,0|2,0,0]=4 907 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [1,1,0,0,0,0|2,0,0]=4 908 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [1,1,0,0,0,0|2,0,0]=4 909 B7R0.11 CCC(C)(C)OCC TS32244 [1,1,0,0,0,0|1,0,1]=4 910 B7R0.11 CCCC(C)(C)CC TS32122 [1,1,0,0,0,0|1,0,1]=4 911 B7R0.11 CCCC(C)(CC)Cl TS36886 [1,1,0,0,0,0|1,0,1]=4 912 B7R0.11 CCCC(C)(CC)O TS04623 [1,1,0,0,0,0|0,0,2]=4 913 B7R0.12 CCC=C(CC)CC TS04344 [1,1,0,0,0,0|1,0,1]=4 914 B7R0.12 CCCC(CC)CC TS04503 [1,1,0,0,0,0|1,0,1]=4 915 B7R0.12 CCCC(CC)CO TS32241 [1,1,0,0,0,0|0,0,2]=4 916 B7R0.12 CCCN(CC)CC TS04562 [1,1,0,0,0,0|2,0,0]=4 917 B7R0.12 CCN(CCO)N=O TS32331 [1,1,0,0,0,0|2,0,0]=4 918 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [1,1,0,0,0,0|2,0,0]=4 919 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,1,0,0,0,0|2,0,0]=4 920 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [1,1,0,0,0,0|2,0,0]=4 921 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,1,0,0,0,0|2,0,0]=4 922 B7R0.4 C(CCN)CC(=O)O TS04661 [1,1,0,0,0,0|2,0,0]=4 923 B7R0.4 C(CCN)CC(=O)O TS41314 [1,1,0,0,0,0|2,0,0]=4 924 B7R0.4 C(CCl)OCC(=O)O TS37248 [1,1,0,0,0,0|2,0,0]=4 925 B7R0.4 C(COC(=O)Cl)CCl TS93963 [1,1,0,0,0,0|1,0,0]=3 926 B7R0.4 C(COCC(=O)N)O TS32389 [1,1,0,0,0,0|2,0,0]=4 927 B7R0.4 CC#CCOC(=O)C TS31919 [1,1,0,0,0,0|0,0,1]=3 928 B7R0.4 CC(=O)CCCC#N TS04252 [1,1,0,0,0,0|1,0,1]=4 929 B7R0.4 CC(=O)CCCCBr TS47671 [1,1,0,0,0,0|1,0,0]=3 930 B7R0.4 CC(=O)CCCCCl TS05947 [1,1,0,0,0,0|1,0,0]=3 931 B7R0.4 CC(=O)OCCC#C TS31899 [1,1,0,0,0,0|0,0,1]=3 932 B7R0.4 CC(=O)OCCC=C TS04442 [1,1,0,0,0,0|0,0,1]=3 933 B7R0.4 CC(=O)OCCCCl TS06130 [1,1,0,0,0,0|0,0,0]=2 934 B7R0.4 CC(=O)OCCOC TS32328 [1,1,0,0,0,0|0,0,0]=2 935 B7R0.4 CC(C)OCCCN TS32297 [1,1,0,0,0,0|1,0,1]=4 936 B7R0.4 CCCC#CC(=C)C TS04147 [1,1,0,0,0,0|2,0,0]=4 937 B7R0.4 CCCC#CC(=O)C TS31834 [1,1,0,0,0,0|1,0,0]=3 938 B7R0.4 CCCC#CC(=O)O TS31912 [1,1,0,0,0,0|2,0,0]=4 939 B7R0.4 CCCC=CC(=O)C TS31936 [1,1,0,0,0,0|1,0,0]=3 940 B7R0.4 CCCC=CC(=O)O TS59547 [1,1,0,0,0,0|2,0,0]=4 941 B7R0.4 CCCCC=C(C)C TS04347 [1,1,0,0,0,0|2,0,0]=4 942 B7R0.4 CCCCCC(=C)C TS04340 [1,1,0,0,0,0|2,0,0]=4 943 B7R0.4 CCCCCC(=O)C TS32098 [1,1,0,0,0,0|1,0,0]=3 944 B7R0.4 CCCCCC(=O)Cl TS05948 [1,1,0,0,0,0|2,0,0]=4 945 B7R0.4 CCCCCC(=O)N TS32152 [1,1,0,0,0,0|2,0,0]=4 946 B7R0.4 CCCCCC(=O)O TS32204 [1,1,0,0,0,0|2,0,0]=4 947 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,1,0,0,0,0|2,0,0]=4 948 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,1,0,0,0,0|2,0,0]=4 949 B7R0.4 CCCCNC(=O)C TS32171 [1,1,0,0,0,0|1,0,0]=3 950 B7R0.4 CCCCNC(=O)N TS04607 [1,1,0,0,0,0|2,0,0]=4 951 B7R0.4 CCCCOC(=O)C TS32218 [1,1,0,0,0,0|0,0,0]=2 952 B7R0.4 CCCCOC(=O)Cl TS16538 [1,1,0,0,0,0|1,0,0]=3 953 B7R0.4 CCCCOC(=O)N TS04660 [1,1,0,0,0,0|1,0,0]=3 954 B7R0.4 CCCCOC(=S)C TS05777 [1,1,0,0,0,0|0,1,0]=3 955 B7R0.4 CCCCON(=O)=O TS32384 [1,1,0,0,0,0|2,0,0]=4 956 B7R0.4 CCCNCC(=O)O TS04670 [1,1,0,0,0,0|2,0,0]=4 957 B7R0.4 CCCOCC(=O)O TS32314 [1,1,0,0,0,0|1,0,0]=3 958 B7R0.4 CCCOCC(C)O TS04740 [1,1,0,0,0,0|0,0,2]=4 959 B7R0.4 CCCSCC(=O)O TS05921 [1,1,0,0,0,0|1,1,0]=4 960 B7R0.4 CCOCCC(=O)C TS04589 [1,1,0,0,0,0|1,0,0]=3 961 B7R0.4 CCOCCC(=O)O TS32325 [1,1,0,0,0,0|2,0,0]=4 962 B7R0.4 CNCCCC(=O)O TS41308 [1,1,0,0,0,0|2,0,0]=4 963 B7R0.4 COCCOC(=O)Cl TS37247 [1,1,0,0,0,0|1,0,0]=3 964 B7R0.6 CC(=C)CCC(=O)C TS04310 [1,1,0,0,0,0|1,0,1]=4 965 B7R0.6 CC(=C)COC(=O)C TS04432 [1,1,0,0,0,0|0,0,1]=3 966 B7R0.6 CC(=O)CCC(=O)C TS00680 [1,1,0,0,0,0|1,0,1]=4 967 B7R0.6 CC(=O)CNC(=O)C TS01998 [1,1,0,0,0,0|1,0,1]=4 968 B7R0.6 CC(=O)COC(=O)C TS32186 [1,1,0,0,0,0|0,0,1]=3 969 B7R0.6 CC(=O)OCC(=O)Cl TS37071 [1,1,0,0,0,0|1,0,1]=4 970 B7R0.6 CC(=O)OCC(=O)O TS04693 [1,1,0,0,0,0|1,0,1]=4 971 B7R0.6 CC(=O)OCC(F)F TS05005 [1,1,0,0,0,0|1,0,0]=3 972 B7R0.6 CC(=O)OOC(=O)C TS04696 [1,1,0,0,0,0|1,0,1]=4 973 B7R0.6 CC(C)C=CC(=O)C TS01150 [1,1,0,0,0,0|1,0,1]=4 974 B7R0.6 CC(C)CCC(=C)C TS31967 [1,1,0,0,0,0|2,0,0]=4 975 B7R0.6 CC(C)CCC(=O)C TS32095 [1,1,0,0,0,0|1,0,0]=3 976 B7R0.6 CC(C)CCC(=O)Cl TS05954 [1,1,0,0,0,0|2,0,0]=4 977 B7R0.6 CC(C)CCC(=O)O TS32208 [1,1,0,0,0,0|2,0,0]=4 978 B7R0.6 CC(C)CNC(=O)N TS04600 [1,1,0,0,0,0|2,0,0]=4 979 B7R0.6 CC(C)COC(=O)C TS04598 [1,1,0,0,0,0|0,0,0]=2 980 B7R0.6 CC(C)COC(=O)Cl TS74510 [1,1,0,0,0,0|1,0,0]=3 981 B7R0.6 CC(C)COC(=O)N TS32285 [1,1,0,0,0,0|1,0,0]=3 982 B7R0.6 CC(C)CO[N+](=O)[O-] TS32375 [1,1,0,0,0,0|2,0,0]=4 983 B7R0.6 CC(CCC(=C)C)O TS32103 [1,1,0,0,0,0|2,0,0]=4 984 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [1,1,0,0,0,0|2,0,0]=4 985 B7R0.6 CC(COC(=O)C)O TS32324 [1,1,0,0,0,0|0,0,0]=2 986 B7R0.8 CCCO[Si](C)(C)C TS36722 [1,1,0,0,0,0|1,1,0]=4 987 B7R0.8 CS(=O)(=O)OCCCl TS11093 [1,1,0,0,0,0|2,0,0]=4 988 B7R0.1 CCC#CCCCCl TS36574 [1,1,0,0,0,0|1,0,1]=4 989 B7R0.1 CCC=CCCC=O TS04313 [1,1,0,0,0,0|1,0,1]=4 990 B7R0.1 CCC=CCCCO TS04463 [1,1,0,0,0,0|1,0,0]=3 991 B7R0.1 CCCC#CCCC TS31857 [1,1,0,0,0,0|1,0,1]=4 992 B7R0.1 CCCC#CCCO TS31945 [1,1,0,0,0,0|1,0,1]=4 993 B7R0.1 CCCC=CC=CC TS31845 [1,1,0,0,0,0|1,0,1]=4 994 B7R0.1 CCCC=CCC=C TS31855 [1,1,0,0,0,0|1,0,1]=4 995 B7R0.1 CCCC=CCCC TS31958 [1,1,0,0,0,0|1,0,0]=3 996 B7R0.1 CCCC=CCCO TS04459 [1,1,0,0,0,0|1,0,0]=3 997 B7R0.1 CCCC=COCC TS04469 [1,1,0,0,0,0|1,0,0]=3 998 B7R0.1 CCCCC#CCC TS31859 [1,1,0,0,0,0|1,0,1]=4 999 B7R0.1 CCCCC=CCC TS04348 [1,1,0,0,0,0|1,0,0]=3 1000 B7R0.1 CCCCC=CCC TS31974 [1,1,0,0,0,0|1,0,0]=3 1001 B7R0.1 CCCCC=CCO TS32112 [1,1,0,0,0,0|1,0,1]=4 1002 B7R0.1 CCCCCC=CC TS31964 [1,1,0,0,0,0|1,0,1]=4 1003 B7R0.1 CCCCCCCBr TS00035 [1,1,0,0,0,0|1,0,1]=4 1004 B7R0.1 CCCCCCCCl TS36887 [1,1,0,0,0,0|1,0,1]=4 1005 B7R0.1 CCCCCCCF TS32353 [1,1,0,0,0,0|1,0,1]=4 1006 B7R0.1 CCCCCCCI TS52275 [1,1,0,0,0,0|1,0,1]=4 1007 B7R0.1 CCCCCCCN TS04552 [1,1,0,0,0,0|1,0,1]=4 1008 B7R0.1 CCCCCCCO TS32232 [1,1,0,0,0,0|1,0,1]=4 1009 B7R0.1 CCCCCCCS TS05788 [1,1,0,0,0,0|1,0,1]=4 1010 B7R0.1 CCCCCCNC TS04559 [1,1,0,0,0,0|1,0,1]=4 1011 B7R0.1 CCCCCCOC TS32254 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.1 CCCCCCSC TS05792 [1,1,0,0,0,0|1,0,1]=4 1013 B7R0.1 CCCCCNCC TS04550 [1,1,0,0,0,0|1,0,1]=4 1014 B7R0.1 CCCCCOCC TS32236 [1,1,0,0,0,0|1,0,1]=4 1015 B7R0.1 CCCCCSCC TS36717 [1,1,0,0,0,0|1,0,1]=4 1016 B7R0.1 CCCCNCCC TS04557 [1,1,0,0,0,0|1,0,1]=4 1017 B7R0.1 CCCCNCCN TS04633 [1,1,0,0,0,0|2,0,0]=4 1018 B7R0.1 CCCCNCCO TS32289 [1,1,0,0,0,0|2,0,0]=4 1019 B7R0.1 CCCCNCCS TS36787 [1,1,0,0,0,0|2,0,0]=4 1020 B7R0.1 CCCCOCCBr TS48031 [1,1,0,0,0,0|1,0,1]=4 1021 B7R0.1 CCCCOCCCl TS06142 [1,1,0,0,0,0|1,0,1]=4 1022 B7R0.1 CCCCOCCO TS04738 [1,1,0,0,0,0|1,0,1]=4 1023 B7R0.1 CCCCSCCC TS05790 [1,1,0,0,0,0|0,1,1]=4 1024 B7R0.1 CCCCSCCO TS36874 [1,1,0,0,0,0|2,0,0]=4 1025 B7R0.1 CCCCSSCC TS40937 [1,1,0,0,0,0|1,1,0]=4 1026 B7R0.1 CCCNCCCN TS32259 [1,1,0,0,0,0|1,0,1]=4 1027 B7R0.1 CCCOCCCN TS32295 [1,1,0,0,0,0|0,0,1]=3 1028 B7R0.1 CCCSSCCC TS40941 [1,1,0,0,0,0|0,1,1]=4 1029 B7R0.1 CCNCCCCN TS36623 [1,1,0,0,0,0|2,0,0]=4 1030 B7R0.1 CCNCCCCO TS32294 [1,1,0,0,0,0|2,0,0]=4 1031 B7R0.1 CCNCCNCC TS32258 [1,1,0,0,0,0|2,0,0]=4 1032 B7R0.1 CCOCCCCCl TS06141 [1,1,0,0,0,0|2,0,0]=4 1033 B7R0.1 CCOCCOCC TS32341 [1,1,0,0,0,0|2,0,0]=4 1034 B7R0.1 COCC=CCOC TS04586 [1,1,0,0,0,0|2,0,0]=4 1035 B7R0.1 COCCOCCBr TS48373 [1,1,0,0,0,0|1,0,1]=4 1036 B7R0.1 COCCOCCCl TS37251 [1,1,0,0,0,0|1,0,1]=4 1037 B9R0.4 CC(=O)CC(=O)OCC=C TS06662 [0,2,0,0,0,0|0,0,2]=4 1038 B9R0.4 CC(C)CC(=O)OCC=C TS06704 [0,2,0,0,0,0|0,0,2]=4 1039 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,2,0,0,0,0|1,0,0]=3 1040 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,2,0,0,0,0|1,0,0]=3 1041 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [0,2,0,0,0,0|0,0,0]=2 1042 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,2,0,0,0,0|0,0,0]=2 1043 B9R0.5 CCC=CCC(=O)OCC TS06708 [0,2,0,0,0,0|1,0,1]=4 1044 B9R0.5 CCCC#CC(=O)OCC TS06461 [0,2,0,0,0,0|1,0,0]=3 1045 B9R0.5 CCCC=CC(=O)OCC TS06717 [0,2,0,0,0,0|1,0,0]=3 1046 B9R0.5 CCCCCC(=O)CCC TS06764 [0,2,0,0,0,0|1,0,0]=3 1047 B9R0.5 CCCCCC(=O)OCC TS06974 [0,2,0,0,0,0|1,0,0]=3 1048 B9R0.5 CCCCOC(=O)CC#N TS06591 [0,2,0,0,0,0|0,0,1]=3 1049 B9R0.5 CCCCOC(=O)CCC TS40200 [0,2,0,0,0,0|0,0,0]=2 1050 B9R0.5 CCCCOC(=O)CCCl TS11957 [0,2,0,0,0,0|0,0,0]=2 1051 B9R0.5 CCCCOC(=O)CCS TS11614 [0,2,0,0,0,0|0,0,0]=2 1052 B9R0.5 CCOC(=O)CCCCBr TS20688 [0,2,0,0,0,0|1,0,0]=3 1053 B9R0.5 CCOC(=O)CCCC[Zn+] TS33641 [0,2,0,0,0,0|1,0,0]=3 1054 B9R0.5 CCOC(=O)CNCCN TS49565 [0,2,0,0,0,0|2,0,0]=4 1055 B9R0.5 CCOC=CC(=O)OCC TS06939 [0,2,0,0,0,0|1,0,1]=4 1056 B9R0.5 CCOCCC(=O)OCC TS00147 [0,2,0,0,0,0|1,0,0]=3 1057 B9R0.5 COCCOC(=O)CC#N TS06834 [0,2,0,0,0,0|0,0,1]=3 1058 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,2,0,0,0,0|1,0,0]=3 1059 B9R0.8 CCCCC(C(=O)OC)Br TS20685 [0,2,0,0,0,0|2,0,0]=4 1060 B9R0.8 CCCCC(C(=O)OC)Br TS93880 [0,2,0,0,0,0|2,0,0]=4 1061 B9R0.8 CCCCC(C(=O)OC)N TS48157 [0,2,0,0,0,0|2,0,0]=4 1062 B9R0.8 CCCC[C@@H](C(=O)OC)N TS48152 [0,2,0,0,0,0|2,0,0]=4 1063 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,2,0,0,0,0|0,0,1]=3 1064 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,2,0,0,0,0|0,0,0]=2 1065 B9R0.8 COC(=O)C(CCCBr)Br TS39897 [0,2,0,0,0,0|2,0,0]=4 1066 B9R0.8 COC(=O)C(CCSC)N TS37822 [0,2,0,0,0,0|2,0,0]=4 1067 B9R0.8 COC(=O)[C@@H](CCSC)N TS37817 [0,2,0,0,0,0|2,0,0]=4 1068 B9R0.8 COC(=O)[C@H](CCCN)N TS49564 [0,2,0,0,0,0|2,0,0]=4 1069 B9R0.8 COC(=O)[C@H](CCSC)N TS07678 [0,2,0,0,0,0|2,0,0]=4 1070 B9R0.18 C(CC(=O)CCCCl)CCl TS48380 [0,2,0,0,0,0|2,0,0]=4 1071 B9R0.18 C(CCl)OC(=O)OCCCl TS15753 [0,2,0,0,0,0|1,0,0]=3 1072 B9R0.18 C(CO)NC(=O)NCCO TS07426 [0,2,0,0,0,0|2,0,0]=4 1073 B9R0.18 CCCCC(=O)CCCC TS39918 [0,2,0,0,0,0|1,0,0]=3 1074 B9R0.18 CCCCC(=O)OCC=C TS37596 [0,2,0,0,0,0|0,0,2]=4 1075 B9R0.18 CCCCC(=O)OCCC TS06971 [0,2,0,0,0,0|0,0,0]=2 1076 B9R0.18 CCCCS(=O)CCCC TS42514 [0,2,0,0,0,0|2,0,0]=4 1077 B9R0.18 CCCC[Sn](=O)CCCC TS27846 [0,2,0,0,0,0|2,0,0]=4 1078 B9R0.18 CCCNC(=O)NCCC TS00377 [0,2,0,0,0,0|1,0,0]=3 1079 B9R0.18 CCCNC(=S)NCCC TS42227 [0,2,0,0,0,0|1,1,0]=4 1080 B9R0.18 CCCOC(=O)OCCC TS40429 [0,2,0,0,0,0|0,0,0]=2 1081 B9R0.18 CCCOP([O-])OCCC TS43022 [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.18 CCCOS(=O)OCCC TS12274 [0,2,0,0,0,0|1,0,0]=3 1083 B9R0.18 COCNC(=O)NCOC TS07427 [0,2,0,0,0,0|2,0,0]=4 1084 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.34 CCC(=O)OC(C)COC TS40422 [0,2,0,0,0,0|0,0,0]=2 1086 B9R0.34 CCC(C)OC(=O)C=CC TS37594 [0,2,0,0,0,0|0,0,1]=3 1087 B9R0.34 CCCC(=O)CC(=O)OC TS08578 [0,2,0,0,0,0|2,0,0]=4 1088 B9R0.34 CCCC(CC(=O)OC)O TS40426 [0,2,0,0,0,0|2,0,0]=4 1089 B9R0.34 CCOC(=O)CC(C)SC TS11613 [0,2,0,0,0,0|2,0,0]=4 1090 B9R0.34 CCOC(=O)C[C@@H](CBr)O TS21056 [0,2,0,0,0,0|2,0,0]=4 1091 B9R0.34 CCOC(=O)C[C@@H](CCl)O TS08648 [0,2,0,0,0,0|2,0,0]=4 1092 B9R0.34 CCOC(=O)C[C@H](CBr)O TS21055 [0,2,0,0,0,0|2,0,0]=4 1093 B9R0.34 CCOC(=O)C[C@H](CCl)O TS39748 [0,2,0,0,0,0|2,0,0]=4 1094 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,2,0,0,0,0|1,0,1]=4 1095 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,2,0,0,0,0|1,0,0]=3 1096 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,2,0,0,0,0|1,0,0]=3 1097 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,2,0,0,0,0|1,0,0]=3 1098 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,2,0,0,0,0|1,0,0]=3 1099 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,2,0,0,0,0|1,0,0]=3 1100 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,2,0,0,0,0|1,0,0]=3 1101 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,2,0,0,0,0|1,0,0]=3 1102 B9R0.35 CCNC(=O)C(=O)NCC TS40173 [0,2,0,0,0,0|2,0,0]=4 1103 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,2,0,0,0,0|2,0,0]=4 1104 B9R0.35 CCOC(=O)C(CCBr)Br TS64882 [0,2,0,0,0,0|2,0,0]=4 1105 B9R0.35 CCOC(C(=O)OCC)Cl TS12302 [0,2,0,0,0,0|2,0,0]=4 1106 B9R0.35 CCOC(C(=O)OCC)O TS07404 [0,2,0,0,0,0|2,0,0]=4 1107 B9R0.35 CCOC(C)C(=O)OCC TS40412 [0,2,0,0,0,0|2,0,0]=4 1108 B9R0.48 CC(C)COC(=O)CC#N TS37491 [0,2,0,0,0,0|0,0,1]=3 1109 B9R0.48 CC(C)COC(=O)CC=C TS06693 [0,2,0,0,0,0|0,0,1]=3 1110 B9R0.48 CC=CC(=O)OCC(C)C TS37601 [0,2,0,0,0,0|0,0,1]=3 1111 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,2,0,0,0,0|1,0,1]=4 1112 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,2,0,0,0,0|0,0,0]=2 1113 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [0,2,0,0,0,0|1,0,1]=4 1114 B9R0.48 CCOC(=O)CCC(C)C TS06969 [0,2,0,0,0,0|1,0,0]=3 1115 B9R0.48 CCOC(=O)CCC(C)Cl TS09014 [0,2,0,0,0,0|1,0,0]=3 1116 B9R0.48 CCOC(=O)CCN(C)C TS07109 [0,2,0,0,0,0|2,0,0]=4 1117 B9R0.6 CCCC(C)C(=O)C(C)C TS06761 [0,2,0,0,0,0|1,0,0]=3 1118 B9R0.6 CCOC(=O)C(=O)C(C)C TS06953 [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.23 CC(C)CC(C(=O)OC)N TS48158 [0,2,0,0,0,0|2,0,0]=4 1120 B9R0.23 CC(C)C[C@@H](C(=O)OC)N TS48150 [0,2,0,0,0,0|2,0,0]=4 1121 B9R0.23 CC(C)C[C@H](C(=O)OC)N TS48153 [0,2,0,0,0,0|2,0,0]=4 1122 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS07103 [0,2,0,0,0,0|2,0,0]=4 1123 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS16615 [0,2,0,0,0,0|2,0,0]=4 1124 B9R0.1 CC(C)CC=CC(=O)OC TS37612 [0,2,0,0,0,0|2,0,0]=4 1125 B9R0.1 CC(C)CCCC(=O)OC TS06994 [0,2,0,0,0,0|2,0,0]=4 1126 B9R0.1 CC(C)CCOC(=O)CS TS11612 [0,2,0,0,0,0|1,0,0]=3 1127 B9R0.1 CCC(=O)OCCC(C)C TS06990 [0,2,0,0,0,0|0,0,0]=2 1128 B9R0.1 CCC(C)OCCC(=O)C TS06972 [0,2,0,0,0,0|1,0,1]=4 1129 B9R0.1 CN(C)CCOC(=O)C=C TS40086 [0,2,0,0,0,0|0,0,2]=4 1130 B9R0.24 C(C(COC(=O)CS)O)O TS43089 [0,2,0,0,0,0|1,0,0]=3 1131 B9R0.24 C=CC(=O)OCC(CBr)Br TS74184 [0,2,0,0,0,0|0,0,2]=4 1132 B9R0.24 C=CC(=O)OCC(CO)O TS07168 [0,2,0,0,0,0|0,0,2]=4 1133 B9R0.24 CCC(C)COC(=O)CC TS40204 [0,2,0,0,0,0|0,0,0]=2 1134 B9R0.46 CCCCC#CC(=O)OC TS06464 [0,2,0,0,0,0|2,0,0]=4 1135 B9R0.46 CCCCCCC(=O)CC TS06757 [0,2,0,0,0,0|1,0,0]=3 1136 B9R0.46 CCCCCCC(=O)OC TS06976 [0,2,0,0,0,0|2,0,0]=4 1137 B9R0.46 CCCCCOC(=O)C=C TS06719 [0,2,0,0,0,0|0,0,2]=4 1138 B9R0.46 CCCCCOC(=O)CC TS06970 [0,2,0,0,0,0|0,0,0]=2 1139 B9R0.46 CCCCCOC(=O)CN TS48166 [0,2,0,0,0,0|1,0,0]=3 1140 B9R0.46 CCOCCOC(=O)C=C TS33054 [0,2,0,0,0,0|0,0,2]=4 1141 B9R0.46 CCOCCOC(=O)CCl TS65037 [0,2,0,0,0,0|1,0,0]=3 1142 B9R0.46 COC(=O)C#CCCCO TS06657 [0,2,0,0,0,0|2,0,0]=4 1143 B9R0.46 COC(=O)CCCCC#N TS06592 [0,2,0,0,0,0|2,0,0]=4 1144 B9R0.46 COC(=O)CCCCC=O TS06941 [0,2,0,0,0,0|2,0,0]=4 1145 B9R0.46 COC(=O)CCCCCBr TS20689 [0,2,0,0,0,0|2,0,0]=4 1146 B9R0.46 COC(=O)CCCCCN TS48164 [0,2,0,0,0,0|2,0,0]=4 1147 B9R0.46 COC(=O)CCCCCO TS40427 [0,2,0,0,0,0|2,0,0]=4 1148 B9R0.47 CC(=C)C(=O)NCCCN TS56336 [0,2,0,0,0,0|1,0,1]=4 1149 B9R0.47 CC(=C)C(=O)OCCC#N TS06360 [0,2,0,0,0,0|0,0,2]=4 1150 B9R0.47 CC(=C)C(=O)OCCOC TS06936 [0,2,0,0,0,0|0,0,1]=3 1151 B9R0.47 CC(=C)C(=O)OCCSC TS11295 [0,2,0,0,0,0|0,0,1]=3 1152 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,2,0,0,0,0|1,0,1]=4 1153 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,2,0,0,0,0|1,0,0]=3 1154 B9R0.47 CCCCCC(=O)N(C)C TS40099 [0,2,0,0,0,0|2,0,0]=4 1155 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [0,2,0,0,0,0|1,0,1]=4 1156 B9R0.47 CCCCNC(=O)N(C)C TS06999 [0,2,0,0,0,0|2,0,0]=4 1157 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,2,0,0,0,0|0,0,1]=3 1158 B9R0.47 CCCCOC(=O)C(=C)F TS40404 [0,2,0,0,0,0|0,0,2]=4 1159 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [0,2,0,0,0,0|0,0,1]=3 1160 B9R0.47 CCCCOC(=O)C(=O)N TS40299 [0,2,0,0,0,0|1,0,1]=4 1161 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,2,0,0,0,0|0,0,0]=2 1162 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,2,0,0,0,0|0,0,0]=2 1163 B9R0.47 CCCCOC(=O)C(F)Cl TS44945 [0,2,0,0,0,0|1,0,0]=3 1164 B9R0.47 CCCCOC(=O)C(F)F TS41099 [0,2,0,0,0,0|1,0,0]=3 1165 B9R0.50 CCCCC=C(CC)CC TS06523 [0,2,0,0,0,0|2,0,0]=4 1166 B9R0.50 CCN(CCCCO)N=O TS07237 [0,2,0,0,0,0|2,0,0]=4 1167 B9R0.3 C(CCl)OC(=O)C(F)(F)F TS13929 [0,2,0,0,0,0|2,0,0]=4 1168 B9R0.3 CC(C)(C(=O)OCC=C)Br TS20308 [0,2,0,0,0,0|0,0,2]=4 1169 B9R0.3 CCCCC(=O)C(C)(C)C TS06742 [0,2,0,0,0,0|1,0,0]=3 1170 B9R0.7 CC(=C)COC(=O)C(=C)C TS06472 [0,2,0,0,0,0|0,0,2]=4 1171 B9R0.7 CC(C)C(=O)CCN(C)C TS06877 [0,2,0,0,0,0|2,0,0]=4 1172 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [0,2,0,0,0,0|0,0,1]=3 1173 B9R0.7 CC(C)COC(=O)C(C)C TS40217 [0,2,0,0,0,0|0,0,0]=2 1174 B9R0.7 CC(CNC(=O)C(=C)C)O TS40079 [0,2,0,0,0,0|1,0,1]=4 1175 B9R0.7 CC(COC(=O)C(=C)C)O TS06952 [0,2,0,0,0,0|0,0,1]=3 1176 B9R0.7 C[C@@H](C(=O)OCC(C)C)Cl TS11958 [0,2,0,0,0,0|0,0,0]=2 1177 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [0,2,0,0,0,0|0,0,0]=2 1178 B9R0.13 CCCCC(CC)C(=O)O TS06981 [0,2,0,0,0,0|1,0,1]=4 1179 B9R0.13 CCCCC(CC)C(=O)[O-] TS28139 [0,2,0,0,0,0|1,0,1]=4 1180 B9R0.13 CCCCC(CC)C(=O)[O-] TS39790 [0,2,0,0,0,0|1,0,1]=4 1181 B9R0.13 CCCCC(CC)C(=O)[O-] TS40834 [0,2,0,0,0,0|1,0,1]=4 1182 B9R0.13 CCCCC(CC)C(=O)[O-] TS48322 [0,2,0,0,0,0|1,0,1]=4 1183 B9R0.13 CCCCC(CC)C(=O)[O-] TS63429 [0,2,0,0,0,0|1,0,1]=4 1184 B9R0.13 CCCCC(CC)C(=O)[O-] TS64479 [0,2,0,0,0,0|1,0,1]=4 1185 B9R0.13 CCCCC(CC)C(=O)[O-] TS64807 [0,2,0,0,0,0|1,0,1]=4 1186 B9R0.13 CCCCC(CC)C(=O)[O-] TS66962 [0,2,0,0,0,0|1,0,1]=4 1187 B9R0.13 CCCCC(CC)C(=O)[O-] TS73340 [0,2,0,0,0,0|1,0,1]=4 1188 B9R0.13 CCCCC(CC)C(=O)[O-] TS73382 [0,2,0,0,0,0|1,0,1]=4 1189 B9R0.13 CCCCC(CC)C(=O)[O-] TS73419 [0,2,0,0,0,0|1,0,1]=4 1190 B9R0.13 CCCCC(CC)C(=O)[O-] TS76447 [0,2,0,0,0,0|1,0,1]=4 1191 B9R0.13 CCCCC(CC)C(=O)[O-] TS81006 [0,2,0,0,0,0|1,0,1]=4 1192 B9R0.13 CCCCC(CC)C(=O)[O-] TS82968 [0,2,0,0,0,0|1,0,1]=4 1193 B9R0.13 CCCCC(CC)C(=O)[O-] TS83145 [0,2,0,0,0,0|1,0,1]=4 1194 B9R0.13 CCCCC(CC)C(=O)[O-] TS83453 [0,2,0,0,0,0|1,0,1]=4 1195 B9R0.13 CCCCC(CC)C(=O)[O-] TS84114 [0,2,0,0,0,0|1,0,1]=4 1196 B9R0.13 CCCCC(CC)C(=O)[O-] TS84290 [0,2,0,0,0,0|1,0,1]=4 1197 B9R0.42 CCC(=O)OC(C(C)C)Cl TS11955 [0,2,0,0,0,0|0,0,0]=2 1198 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,2,0,0,0,0|0,0,1]=3 1199 B9R0.26 CCC(C)CC(=NO)CC TS40108 [0,2,0,0,0,0|1,0,1]=4 1200 B9R0.22 CCC(C)(C)CC(=O)OC TS40194 [0,2,0,0,0,0|2,0,0]=4 1201 B9R0.22 CCC(C)(C)NC(=O)CCl TS11773 [0,2,0,0,0,0|2,0,0]=4 1202 B7R1.1 C1CC=C(C1)CBr TS90531 [1,0,0,1,0,0|2,0,0]=4 1203 B7R1.1 CC=C1CCCC1 TS03729 [1,0,0,1,0,0|1,0,1]=4 1204 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|1,0,0]=3 1205 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,1,0,0|1,0,0]=3 1206 B7R1.1 CCC1CCCC1 TS21020 [1,0,0,1,0,0|1,0,1]=4 1207 B7R1.1 CCC1CCCC1 TS21612 [1,0,0,1,0,0|1,0,1]=4 1208 B7R1.1 CCC1CCCC1 TS35071 [1,0,0,1,0,0|1,0,1]=4 1209 B7R1.1 CCC1CCCC1 TS57108 [1,0,0,1,0,0|1,0,1]=4 1210 B7R1.1 CCC1CCCC1 TS57519 [1,0,0,1,0,0|1,0,1]=4 1211 B7R1.1 CCC1CCCC1 TS62096 [1,0,0,1,0,0|1,0,1]=4 1212 B7R1.1 CCC1CCCC1 TS70230 [1,0,0,1,0,0|1,0,1]=4 1213 B7R1.1 CCC1CCCC1 TS70344 [1,0,0,1,0,0|1,0,1]=4 1214 B7R1.1 CCC1CCCC1 TS75798 [1,0,0,1,0,0|1,0,1]=4 1215 B7R1.1 CCC1CCCC1 TS78923 [1,0,0,1,0,0|1,0,1]=4 1216 B7R1.1 CCC1CCCC1 TS80049 [1,0,0,1,0,0|1,0,1]=4 1217 B7R1.1 CCC1OCCO1 TS03937 [1,0,0,1,0,0|0,0,2]=4 1218 B7R1.1 CCN1CCCC1 TS03828 [1,0,0,1,0,0|2,0,0]=4 1219 B7R1.1 COC1=NCCC1 TS03819 [1,0,0,1,0,0|2,0,0]=4 1220 B7R1.2 C1C(CNC1=O)N TS87465 [1,0,0,1,0,0|2,0,0]=4 1221 B7R1.2 C1C(COC1=O)O TS31581 [1,0,0,1,0,0|2,0,0]=4 1222 B7R1.2 C1C(OC(=O)O1)Cl TS39329 [1,0,0,1,0,0|2,0,0]=4 1223 B7R1.2 C1C(OC(=O)O1)F TS31724 [1,0,0,1,0,0|2,0,0]=4 1224 B7R1.2 C1CC(=O)CC1=O TS46791 [1,0,0,1,0,0|1,0,1]=4 1225 B7R1.2 C1CC(=O)OC1=O TS31489 [1,0,0,1,0,0|1,0,1]=4 1226 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [1,0,0,1,0,0|2,0,0]=4 1227 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [1,0,0,1,0,0|2,0,0]=4 1228 B7R1.2 C1[C@@H](COC1=O)N TS37130 [1,0,0,1,0,0|2,0,0]=4 1229 B7R1.2 C1[C@@H](COC1=O)O TS33101 [1,0,0,1,0,0|2,0,0]=4 1230 B7R1.2 C1[C@H](CNC1=O)O TS01973 [1,0,0,1,0,0|2,0,0]=4 1231 B7R1.2 C1[C@H](CNC1=O)S TS04686 [1,0,0,1,0,0|2,0,0]=4 1232 B7R1.2 C1[C@H](COC1=O)O TS46585 [1,0,0,1,0,0|2,0,0]=4 1233 B7R1.2 C=C1CCC(=O)O1 TS03758 [1,0,0,1,0,0|0,0,2]=4 1234 B7R1.2 CC1=CC(=O)CC1 TS60019 [1,0,0,1,0,0|0,0,2]=4 1235 B7R1.2 CC1=CCC(=O)O1 TS03764 [1,0,0,1,0,0|0,0,2]=4 1236 B7R1.2 CC1CCC(O1)C TS47281 [1,0,0,1,0,0|1,0,1]=4 1237 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,1,0,0|1,0,0]=3 1238 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,1,0,0|1,0,0]=3 1239 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,1,0,0|0,0,0]=2 1240 B7R1.2 C[C@@H]1CC[C@@H](C1)C TS03800 [1,0,0,1,0,0|1,0,1]=4 1241 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,1,0,0|2,0,0]=4 1242 B7R1.2 C[C@H]1CC[C@@H](C1)C TS31449 [1,0,0,1,0,0|1,0,1]=4 1243 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,1,0,0|2,0,0]=4 1244 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,1,0,0|1,0,0]=3 1245 B7R1.3 C1CC(=O)CNC1 TS02886 [1,0,0,1,0,0|1,0,0]=3 1246 B7R1.3 C1CC(=O)CNC1 TS59353 [1,0,0,1,0,0|1,0,0]=3 1247 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|1,0,0]=3 1248 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|1,0,0]=3 1249 B7R1.3 C1CC(=O)CSC1 TS90226 [1,0,0,1,0,0|1,0,0]=3 1250 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|0,0,2]=4 1251 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|1,0,1]=4 1252 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|0,0,0]=2 1253 B7R1.3 C1CCC(CC1)Br TS33231 [1,0,0,1,0,0|1,0,1]=4 1254 B7R1.3 C1CCC(CC1)Cl TS39830 [1,0,0,1,0,0|1,0,1]=4 1255 B7R1.3 C1CCC(CC1)F TS31606 [1,0,0,1,0,0|1,0,1]=4 1256 B7R1.3 C1CCC(CC1)I TS43723 [1,0,0,1,0,0|1,0,1]=4 1257 B7R1.3 C1CCC(CC1)N TS03833 [1,0,0,1,0,0|1,0,1]=4 1258 B7R1.3 C1CCC(CC1)N TS06026 [1,0,0,1,0,0|1,0,1]=4 1259 B7R1.3 C1CCC(CC1)N TS14508 [1,0,0,1,0,0|1,0,1]=4 1260 B7R1.3 C1CCC(CC1)N TS18426 [1,0,0,1,0,0|1,0,1]=4 1261 B7R1.3 C1CCC(CC1)O TS31506 [1,0,0,1,0,0|0,0,2]=4 1262 B7R1.3 C1CCC(CC1)P TS04576 [1,0,0,1,0,0|1,0,1]=4 1263 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [1,0,0,1,0,0|1,0,1]=4 1264 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [1,0,0,1,0,0|1,0,1]=4 1265 B7R1.3 C1CCN(CC1)N TS03873 [1,0,0,1,0,0|2,0,0]=4 1266 B7R1.3 C1CCN(CC1)N TS06144 [1,0,0,1,0,0|2,0,0]=4 1267 B7R1.3 C1CCN(CC1)O TS31559 [1,0,0,1,0,0|1,0,1]=4 1268 B7R1.3 C1CCNC(=N)C1 TS05957 [1,0,0,1,0,0|2,0,0]=4 1269 B7R1.3 C1CCNC(=O)C1 TS01420 [1,0,0,1,0,0|1,0,0]=3 1270 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|0,0,0]=2 1271 B7R1.3 C1CCOC(C1)O TS31590 [1,0,0,1,0,0|0,0,2]=4 1272 B7R1.3 C1CNC(=O)CN1 TS59349 [1,0,0,1,0,0|2,0,0]=4 1273 B7R1.3 C1CNC(=O)NC1 TS59429 [1,0,0,1,0,0|2,0,0]=4 1274 B7R1.3 C1CNCCC1=O TS02248 [1,0,0,1,0,0|1,0,0]=3 1275 B7R1.3 C1CNCCC1=O TS71284 [1,0,0,1,0,0|1,0,0]=3 1276 B7R1.3 C1COC(=O)C=C1 TS03767 [1,0,0,1,0,0|0,0,2]=4 1277 B7R1.3 C1COC(=O)CO1 TS31576 [1,0,0,1,0,0|1,0,0]=3 1278 B7R1.3 C1COC(=O)OC1 TS31584 [1,0,0,1,0,0|1,0,0]=3 1279 B7R1.3 C1COCC(=O)N1 TS01573 [1,0,0,1,0,0|2,0,0]=4 1280 B7R1.3 C1COCCC1=O TS59431 [1,0,0,1,0,0|1,0,0]=3 1281 B7R1.3 C1COS(=O)OC1 TS85276 [1,0,0,1,0,0|2,0,0]=4 1282 B7R1.3 C1CSCCC1=O TS59432 [1,0,0,1,0,0|1,0,0]=3 1283 B7R1.3 CC1CCCCC1 TS02317 [1,0,0,1,0,0|1,0,1]=4 1284 B7R1.3 CC1CCCCO1 TS31512 [1,0,0,1,0,0|1,0,1]=4 1285 B7R1.3 CN1CCCCC1 TS03834 [1,0,0,1,0,0|2,0,0]=4 1286 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,0,0,1,0,0|1,0,0]=3 1287 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,0,0,1,0,0|1,0,0]=3 1288 B7R1.4 C1CNC(=O)C1N TS94857 [1,0,0,1,0,0|2,0,0]=4 1289 B7R1.4 C1CNC(=O)C1O TS02803 [1,0,0,1,0,0|2,0,0]=4 1290 B7R1.4 C1CNC(=O)[C@H]1O TS31546 [1,0,0,1,0,0|2,0,0]=4 1291 B7R1.4 C1COC(=O)C1Br TS65029 [1,0,0,1,0,0|1,0,0]=3 1292 B7R1.4 C1COC(=O)C1O TS70622 [1,0,0,1,0,0|1,0,0]=3 1293 B7R1.4 C1COC(=O)N1N TS03931 [1,0,0,1,0,0|2,0,0]=4 1294 B7R1.4 C1COC(=O)N1N TS18967 [1,0,0,1,0,0|2,0,0]=4 1295 B7R1.4 C1COC(=O)[C@@H]1N TS06210 [1,0,0,1,0,0|1,0,0]=3 1296 B7R1.4 C1COC(=O)[C@H]1N TS37131 [1,0,0,1,0,0|1,0,0]=3 1297 B7R1.4 C1CSC(=O)C1N TS41321 [1,0,0,1,0,0|1,1,0]=4 1298 B7R1.4 C1CSC(=O)[C@H]1N TS41320 [1,0,0,1,0,0|1,1,0]=4 1299 B7R1.4 C=C1CCOC1=O TS46473 [1,0,0,1,0,0|0,0,2]=4 1300 B7R1.4 CC1=C(CCC1)C TS03727 [1,0,0,1,0,0|1,0,1]=4 1301 B7R1.4 CC1=CCCC1=O TS31367 [1,0,0,1,0,0|0,0,2]=4 1302 B7R1.4 CC1=CCOC1=O TS03756 [1,0,0,1,0,0|0,0,2]=4 1303 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|1,0,0]=3 1304 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,1,0,0|1,0,0]=3 1305 B7R1.4 CC1CCC=C1C TS31386 [1,0,0,1,0,0|1,0,1]=4 1306 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|1,0,0]=3 1307 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|0,0,0]=2 1308 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,1,0,0|1,0,0]=3 1309 B7R1.4 C[C@@H]1CCC[C@@H]1C TS03788 [1,0,0,1,0,0|1,0,1]=4 1310 B7R1.4 C[C@@H]1CCC[C@H]1C TS03797 [1,0,0,1,0,0|1,0,1]=4 1311 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|1,0,0]=3 1312 B7R1.21 CCOC1(CC1)Br TS42848 [1,0,0,1,0,0|1,0,1]=4 1313 B7R1.22 C1CC1C(=O)CBr TS55070 [1,0,0,1,0,0|1,0,0]=3 1314 B7R1.22 C1CC1C(=O)NN TS55829 [1,0,0,1,0,0|2,0,0]=4 1315 B7R1.22 CCC(C)C1CC1 TS03799 [1,0,0,1,0,0|1,0,1]=4 1316 B7R1.22 COC(=O)C1CC1 TS77154 [1,0,0,1,0,0|1,0,0]=3 1317 B7R1.22 COC(=O)C1CN1 TS31541 [1,0,0,1,0,0|2,0,0]=4 1318 B7R1.22 COC(=O)[C@@H]1CN1 TS31535 [1,0,0,1,0,0|2,0,0]=4 1319 B7R1.22 COC(=O)[C@@H]1CO1 TS31582 [1,0,0,1,0,0|2,0,0]=4 1320 B7R1.22 COC(=O)[C@H]1CN1 TS31537 [1,0,0,1,0,0|2,0,0]=4 1321 B7R1.22 COC(=O)[C@H]1CO1 TS46617 [1,0,0,1,0,0|2,0,0]=4 1322 B7R1.14 C1COS(=O)(=O)C1 TS07867 [1,0,0,1,0,0|2,0,0]=4 1323 B7R1.18 C1CC(C1)C(=O)Cl TS22945 [1,0,0,1,0,0|2,0,0]=4 1324 B7R1.18 C1CC(C1)C(=O)N TS03818 [1,0,0,1,0,0|2,0,0]=4 1325 B7R1.18 C1CC(C1)C(=O)O TS22946 [1,0,0,1,0,0|2,0,0]=4 1326 B7R1.18 C1CC(C1)C(=O)[O-] TS39115 [1,0,0,1,0,0|2,0,0]=4 1327 B7R1.20 C1CC1CC(=O)O TS55836 [1,0,0,1,0,0|2,0,0]=4 1328 B7R1.24 C1CCC=CCC1 TS31384 [1,0,0,1,0,0|1,0,0]=3 1329 B7R1.24 C1CCCCCC1 TS03793 [1,0,0,1,0,0|1,0,1]=4 1330 B7R1.24 C1CCCNCC1 TS39804 [1,0,0,1,0,0|1,0,1]=4 1331 B7R1.24 C1CCCOCC1 TS31519 [1,0,0,1,0,0|0,0,1]=3 1332 B7R1.24 C1CCCSCC1 TS04639 [1,0,0,1,0,0|0,1,1]=4 1333 B7R1.24 C1CCOCOC1 TS03952 [1,0,0,1,0,0|1,0,1]=4 1334 B7R1.24 C1CNCCOC1 TS02067 [1,0,0,1,0,0|1,0,1]=4 1335 B9R1.2 C1C=CC(=O)O[C@@H]1CCl TS07277 [0,1,0,1,0,0|1,0,1]=4 1336 B9R1.2 C1CNC(=O)CC1CN TS90526 [0,1,0,1,0,0|2,0,0]=4 1337 B9R1.2 C1CNC(=O)CC1CO TS87561 [0,1,0,1,0,0|2,0,0]=4 1338 B9R1.2 CCN1CCCC(=O)C1 TS11774 [0,1,0,1,0,0|2,0,0]=4 1339 B9R1.2 CCN1CCCC(=O)C1 TS36243 [0,1,0,1,0,0|2,0,0]=4 1340 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,1,0,1,0,0|0,0,0]=2 1341 B9R1.7 CCCC1OCC(O1)C TS05559 [0,1,0,1,0,0|0,0,2]=4 1342 B9R1.7 CCOC1=CC(=O)CC1 TS36121 [0,1,0,1,0,0|1,0,1]=4 1343 B9R1.7 CCOC1C=CC(=O)O1 TS36280 [0,1,0,1,0,0|0,0,2]=4 1344 B9R1.7 COC[C@@H]1COC(=O)O1 TS36637 [0,1,0,1,0,0|1,0,0]=3 1345 B9R1.7 COC[C@H]1CNC(=O)O1 TS05647 [0,1,0,1,0,0|1,0,0]=3 1346 B9R1.7 COC[C@H]1COC(=O)O1 TS05704 [0,1,0,1,0,0|1,0,0]=3 1347 B9R1.8 C1CCC(=CC1)CCN TS05119 [0,1,0,1,0,0|2,0,0]=4 1348 B9R1.8 C1CCOC(C1)CCN TS05479 [0,1,0,1,0,0|1,0,1]=4 1349 B9R1.8 C1COC(OC1)CCBr TS17995 [0,1,0,1,0,0|0,0,2]=4 1350 B9R1.8 CCCC1CCCCO1 TS05388 [0,1,0,1,0,0|1,0,1]=4 1351 B9R1.8 CCOC1=CCCCC1 TS05194 [0,1,0,1,0,0|2,0,0]=4 1352 B9R1.8 CNCC1CCCCO1 TS36422 [0,1,0,1,0,0|1,0,1]=4 1353 B9R1.12 CCCCC1=CCCC1 TS05061 [0,1,0,1,0,0|2,0,0]=4 1354 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [0,1,0,1,0,0|1,0,1]=4 1355 B9R1.15 CC=C1CCCCC1=O TS36005 [0,1,0,1,0,0|1,0,1]=4 1356 B9R1.15 CCC1C(=O)NCCN1 TS05358 [0,1,0,1,0,0|2,0,0]=4 1357 B9R1.15 COC1CCCCC1=O TS05343 [0,1,0,1,0,0|1,0,0]=3 1358 B9R1.15 COC1CCCNC1=O TS00160 [0,1,0,1,0,0|1,0,0]=3 1359 B9R1.15 COC1COCCC1=O TS87427 [0,1,0,1,0,0|2,0,0]=4 1360 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [0,1,0,1,0,0|1,0,0]=3 1361 B9R1.15 CSC1CCCCC1=O TS40228 [0,1,0,1,0,0|1,0,0]=3 1362 B9R1.27 CCC1=C(CNC1=O)C TS16736 [0,1,0,1,0,0|1,0,1]=4 1363 B9R1.27 CCC1C(CNC1=O)C TS36242 [0,1,0,1,0,0|1,0,0]=3 1364 B9R1.33 C1CC(=O)N(C1)CCO TS36418 [0,1,0,1,0,0|2,0,0]=4 1365 B9R1.33 C1CN(C(=O)N1)CCCl TS40707 [0,1,0,1,0,0|2,0,0]=4 1366 B9R1.33 C1CN(C(=O)N1)CCN TS05464 [0,1,0,1,0,0|2,0,0]=4 1367 B9R1.33 C1CN(C(=O)N1)CCO TS36478 [0,1,0,1,0,0|2,0,0]=4 1368 B9R1.33 C1COC(=O)N1CCO TS05635 [0,1,0,1,0,0|2,0,0]=4 1369 B9R1.33 CCCN1CCCC1=O TS05280 [0,1,0,1,0,0|1,0,0]=3 1370 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [0,1,0,1,0,0|1,0,1]=4 1371 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [0,1,0,1,0,0|0,0,1]=3 1372 B9R1.48 CC1CC(=O)NCCN1 TS86852 [0,1,0,1,0,0|2,0,0]=4 1373 B9R1.49 CN1CCC(=O)NCC1 TS05363 [0,1,0,1,0,0|1,0,0]=3 1374 B9R1.50 C1CCCNC(=O)CC1 TS05275 [0,1,0,1,0,0|1,0,0]=3 1375 B9R1.50 CC1=CCCCCCC1 TS05043 [0,1,0,1,0,0|2,0,0]=4 1376 B9R1.69 CC1CCC(=O)CC1C TS36162 [0,1,0,1,0,0|1,0,0]=3 1377 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,1,0,1,0,0|1,0,0]=3 1378 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,1,0,1,0,0|1,0,0]=3 1379 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,1,0,1,0,0|2,0,0]=4 1380 B9R1.69 CN1CC(CCC1=O)N TS86285 [0,1,0,1,0,0|2,0,0]=4 1381 B9R1.69 C[C@@H]1CCC(=O)C[C@H]1C TS05202 [0,1,0,1,0,0|1,0,0]=3 1382 B9R1.69 C[C@H]1CCC(=O)C[C@H]1C TS36152 [0,1,0,1,0,0|1,0,0]=3 1383 B9R1.73 C1CC(C1)C(=O)CC#N TS88512 [0,1,0,1,0,0|1,0,1]=4 1384 B9R1.73 CCOC(=O)C1CCC1 TS59781 [0,1,0,1,0,0|1,0,0]=3 1385 B9R1.73 CCOC(=O)C1CNC1 TS42980 [0,1,0,1,0,0|2,0,0]=4 1386 B9R1.75 CCNC(=S)NC1CC1 TS40230 [0,1,0,1,0,0|1,1,0]=4 1387 B9R1.75 CCOC(=O)C[C@@H]1CO1 TS05527 [0,1,0,1,0,0|2,0,0]=4 1388 B9R1.100 CCCNC(=O)C1CC1 TS05284 [0,1,0,1,0,0|1,0,0]=3 1389 B9R1.183 CCOC(=O)C1CC1C TS32692 [0,1,0,1,0,0|1,0,0]=3 1390 B9R1.183 CCOC(=O)[C@@H]1C[C@H]1F TS36653 [0,1,0,1,0,0|2,0,0]=4 1391 B9R1.183 CCOC(=O)[C@@H]1[C@@H](O1)C TS05523 [0,1,0,1,0,0|2,0,0]=4 1392 B9R1.3 CC1C(=O)CCCC1=O TS05155 [0,1,0,1,0,0|1,0,1]=4 1393 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|1,0,0]=3 1394 B9R1.3 CN1CCCC(C1=O)N TS88173 [0,1,0,1,0,0|2,0,0]=4 1395 B9R1.3 CN1CCCN(C1=O)C TS59889 [0,1,0,1,0,0|2,0,0]=4 1396 B9R1.3 C[C@@H]1CCC[C@@H](C1=C)C TS05063 [0,1,0,1,0,0|2,0,0]=4 1397 B9R1.3 C[C@H]1CCC[C@@H](C1=C)C TS05052 [0,1,0,1,0,0|2,0,0]=4 1398 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,1,0,1,0,0|1,0,0]=3 1399 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,1,0,1,0,0|1,0,0]=3 1400 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,1,0,1,0,0|1,0,0]=3 1401 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,1,0,1,0,0|1,0,0]=3 1402 B9R1.5 C1CSC[C@@H](C(=O)N1)N TS46614 [0,1,0,1,0,0|2,0,0]=4 1403 B9R1.5 CN1CCCCCC1=O TS36239 [0,1,0,1,0,0|1,0,0]=3 1404 B9R1.5 CN1CCCNCC1=O TS05356 [0,1,0,1,0,0|2,0,0]=4 1405 B9R1.11 C1CC(OC1)C(=O)NN TS36475 [0,1,0,1,0,0|2,0,0]=4 1406 B9R1.11 C1CCN(C1)C(=O)CCl TS08382 [0,1,0,1,0,0|2,0,0]=4 1407 B9R1.11 C1CCN(C1)C(=O)CN TS11965 [0,1,0,1,0,0|2,0,0]=4 1408 B9R1.11 CNC(=O)[C@@H]1CCCN1 TS11964 [0,1,0,1,0,0|2,0,0]=4 1409 B9R1.11 COC(=O)C1=CCCC1 TS85230 [0,1,0,1,0,0|2,0,0]=4 1410 B9R1.11 COC(=O)C1CCCC1 TS05351 [0,1,0,1,0,0|2,0,0]=4 1411 B9R1.11 COC(=O)C1CCCN1 TS42981 [0,1,0,1,0,0|2,0,0]=4 1412 B9R1.11 COC(=O)C1CCCO1 TS02300 [0,1,0,1,0,0|1,0,0]=3 1413 B9R1.11 COC(=O)C1CCNC1 TS88210 [0,1,0,1,0,0|2,0,0]=4 1414 B9R1.11 COC(=O)C1CCOC1 TS86607 [0,1,0,1,0,0|2,0,0]=4 1415 B9R1.11 COC(=O)N1CCCC1 TS36396 [0,1,0,1,0,0|2,0,0]=4 1416 B9R1.11 COC(=O)[C@@H]1CCCN1 TS42969 [0,1,0,1,0,0|2,0,0]=4 1417 B9R1.11 COC(=O)[C@@H]1CCNC1 TS89012 [0,1,0,1,0,0|2,0,0]=4 1418 B9R1.11 COC(=O)[C@@H]1CCOC1 TS88346 [0,1,0,1,0,0|2,0,0]=4 1419 B9R1.11 COC(=O)[C@H]1CCCN1 TS42971 [0,1,0,1,0,0|2,0,0]=4 1420 B9R1.11 COC(=O)[C@H]1CCNC1 TS89015 [0,1,0,1,0,0|2,0,0]=4 1421 B9R1.11 COC(=O)[C@H]1CCOC1 TS88345 [0,1,0,1,0,0|2,0,0]=4 1422 B9R1.82 COC(=O)C1CC(C1)Cl TS87869 [0,1,0,1,0,0|2,0,0]=4 1423 B9R1.82 COC(=O)C1CC(C1)O TS78287 [0,1,0,1,0,0|2,0,0]=4 1424 B9R1.82 COC(=O)C1CC(C1)O TS91487 [0,1,0,1,0,0|2,0,0]=4 1425 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N TS91360 [0,1,0,1,0,0|2,0,0]=4 1426 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)O TS85937 [0,1,0,1,0,0|2,0,0]=4 1427 B9R1.82 COC(=O)[C@H]1C[C@H](C1)N TS86335 [0,1,0,1,0,0|2,0,0]=4 1428 B9R1.82 COC(=O)[C@H]1C[C@H](C1)O TS87196 [0,1,0,1,0,0|2,0,0]=4 1429 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [0,1,0,1,0,0|1,0,1]=4 1430 B9R1.186 COC(=O)C1(CCC1)N TS42974 [0,1,0,1,0,0|2,0,0]=4 1431 B9R1.186 COC(=O)C1(CCC1)N TS59496 [0,1,0,1,0,0|2,0,0]=4 1432 B9R1.1 C1CC(=O)CCC1C=O TS29491 [0,1,0,1,0,0|1,0,1]=4 1433 B9R1.1 C=C1CCC(CC1)CO TS05200 [0,1,0,1,0,0|2,0,0]=4 1434 B9R1.1 CC1CCN(CC1)C=O TS05286 [0,1,0,1,0,0|2,0,0]=4 1435 B9R1.1 CCC1CCC(=O)CC1 TS71106 [0,1,0,1,0,0|1,0,0]=3 1436 B9R1.1 CCN1CCC(=O)CC1 TS00437 [0,1,0,1,0,0|1,0,0]=3 1437 B9R1.1 COC1CCC(=O)CC1 TS05347 [0,1,0,1,0,0|1,0,0]=3 1438 B9R1.21 CCC1CCC(O1)CC TS36341 [0,1,0,1,0,0|1,0,1]=4 1439 B9R1.79 C1CC(C1)NC(=O)CN TS08961 [0,1,0,1,0,0|2,0,0]=4 1440 B9R1.79 COC(=O)CC1CCC1 TS36295 [0,1,0,1,0,0|2,0,0]=4 1441 B9R1.79 COC(=O)CC1CNC1 TS91760 [0,1,0,1,0,0|2,0,0]=4 1442 B9R1.79 COC(=O)CC1COC1 TS85849 [0,1,0,1,0,0|2,0,0]=4 1443 B9R1.80 C=CC(=O)OCC1CO1 TS47171 [0,1,0,1,0,0|0,0,2]=4 1444 B9R1.89 C1CCC=C(CC1)C#N TS32476 [0,1,0,1,0,0|2,0,0]=4 1445 B9R1.89 C1CCCC(=NO)CC1 TS05273 [0,1,0,1,0,0|1,0,1]=4 1446 B9R1.89 C1CCCC(CC1)C=O TS05193 [0,1,0,1,0,0|1,0,1]=4 1447 B9R1.89 C1CCCN(CC1)N=O TS05357 [0,1,0,1,0,0|2,0,0]=4 1448 B9R1.89 CC=C1CCCCCC1 TS05056 [0,1,0,1,0,0|2,0,0]=4 1449 B9R1.89 COC1=NCCCCC1 TS36236 [0,1,0,1,0,0|1,0,1]=4 1450 B9R1.6 CC(C)C1=CCCCC1 TS05054 [0,1,0,1,0,0|2,0,0]=4 1451 B9R1.23 CC1C(=O)OC(=N1)CN TS05316 [0,1,0,1,0,0|1,0,1]=4 1452 B9R1.23 CCC1N=C(C(S1)C)C TS06882 [0,1,0,1,0,0|2,0,0]=4 1453 B9R1.23 CN1C[C@@H](OC1=O)CO TS05636 [0,1,0,1,0,0|2,0,0]=4 1454 B9R1.35 C1CC(=O)O[C@@H]1C(=O)O TS59548 [0,1,0,1,0,0|1,0,1]=4 1455 B9R1.35 CC(=O)C1CCC(=O)O1 TS36267 [0,1,0,1,0,0|0,0,1]=3 1456 B9R1.35 CC(C)[C@@H]1COC(=O)N1 TS46612 [0,1,0,1,0,0|2,0,0]=4 1457 B9R1.35 CC(C)[C@H]1COC(=O)N1 TS08657 [0,1,0,1,0,0|2,0,0]=4 1458 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,1,0,1,0,0|1,0,0]=3 1459 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,1,0,1,0,0|1,0,0]=3 1460 B9R1.40 CC1(CCCOC1=O)C TS36287 [0,1,0,1,0,0|0,0,0]=2 1461 B9R1.40 CC1(CNCCC1=O)C TS90878 [0,1,0,1,0,0|2,0,0]=4 1462 B9R1.10 C1CC(CCC1=O)(F)F TS05869 [0,1,0,1,0,0|2,0,0]=4 1463 B9R1.10 C1CC(CNC1=O)(F)F TS86458 [0,1,0,1,0,0|2,0,0]=4 1464 B9R1.10 CC1(CCC(=O)C=C1)C TS02215 [0,1,0,1,0,0|1,0,1]=4 1465 B9R1.10 CC1(CCC(=O)CC1)C TS60034 [0,1,0,1,0,0|1,0,0]=3 1466 B9R1.10 CC1(COC(=O)OC1)C TS05528 [0,1,0,1,0,0|1,0,0]=3 1467 B9R1.10 C[N+]1(CCC(=O)CC1)C TS67677 [0,1,0,1,0,0|2,0,0]=4 1468 B9R1.133 CCC1=NC(CO1)(C)C TS05276 [0,1,0,1,0,0|1,0,0]=3 1469 B9R1.138 CC1(COC(=O)C1=O)C TS36274 [0,1,0,1,0,0|1,0,1]=4 1470 B9R1.138 CC1(COC(=O)C1O)C TS36471 [0,1,0,1,0,0|1,0,0]=3 1471 B9R1.138 CC1(COC(=O)[C@@H]1O)C TS05534 [0,1,0,1,0,0|1,0,0]=3 1472 B9R1.138 CC1(COC(=O)[C@H]1O)C TS46639 [0,1,0,1,0,0|1,0,0]=3 1473 B9R1.113 COC(=O)CC1(CC1)N TS42978 [0,1,0,1,0,0|2,0,0]=4 1474 B9R2.39 C1C2CNC1C(=O)O2 TS04374 [0,0,0,2,0,0|1,0,0]=3 1475 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [0,0,0,2,0,0|1,0,0]=3 1476 B9R2.19 C1C2CNC(=O)C1N2 TS90991 [0,0,0,2,0,0|2,0,0]=4 1477 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,2,0,0|2,0,0]=4