0 B7R0.5 C(CBr)C(=C(F)F)F TS16108 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.5 C(CBr)C(C(=O)O)Br TS27394 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 C(CBr)[C@@H](C(=O)O)N TS68673 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 C(CN)C(C(=O)O)N TS32337 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 C(CN)C(C(=O)O)N TS51238 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 C(CN)C(C(=O)O)O TS02964 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.5 C(CN)[C@@H](C(=O)O)N TS01514 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.5 C(CN)[C@@H](C(=O)O)N TS54154 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.5 C(CN)[C@@H](C(=O)O)O TS46625 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.5 C(CN)[C@H](C(=O)O)F TS04856 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.5 C(CN)[C@H](C(=O)O)N TS04719 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.5 C(CN)[C@H](C(=O)O)N TS51237 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 C(CO)C(C(=O)O)N TS32380 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 C(CO)[C@@H](C(=O)O)N TS01524 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.5 C(CO)[C@@H](C(=O)O)N TS59867 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.5 C(CO)[C@@H](C(=O)O)O TS32406 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.5 C(CO)[C@H](C(=O)O)N TS01423 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.5 C(CS)C(C(=O)O)N TS05996 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.5 C(CS)[C@@H](C(=O)O)N TS05998 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.5 C(CS)[C@H](C(=O)O)N TS05994 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.5 CC(=C)C(=O)NCO TS04529 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.5 CC(=C)C(=O)OC=C TS31917 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.5 CC(C)C(=O)CC#N TS60063 [0,0,0,0,0,0|2,0,2]=4 23 B7R0.5 CCC=C(C)C(=O)O TS04448 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.5 CCC=C(C)C(C)C TS31953 [0,0,0,0,0,0|2,0,2]=4 25 B7R0.5 CCC=C(C)C(C)O TS04482 [0,0,0,0,0,0|1,0,3]=4 26 B7R0.5 CCCC(=C(C)C)C TS04362 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.5 CCCC(=C)C(C)C TS04341 [0,0,0,0,0,0|2,0,1]=3 28 B7R0.5 CCCC(=O)C(=O)C TS32062 [0,0,0,0,0,0|0,0,0]=0 29 B7R0.5 CCCC(=O)C(=O)O TS32183 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.5 CCCC(=O)C(=O)[O-] TS06218 [0,0,0,0,0,0|1,0,0]=1 31 B7R0.5 CCCC(=O)C(C)C TS32114 [0,0,0,0,0,0|1,0,1]=2 32 B7R0.5 CCCC(=O)N(C)C TS32149 [0,0,0,0,0,0|2,0,0]=2 33 B7R0.5 CCCC(C(=O)Cl)Br TS18873 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.5 CCCC(C(=O)O)Br TS14719 [0,0,0,0,0,0|2,0,1]=3 35 B7R0.5 CCCC(C(=O)O)N TS04663 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.5 CCCC(C(=O)[O-])O TS06422 [0,0,0,0,0,0|1,0,2]=3 37 B7R0.5 CCCC(C(C)Br)Br TS61926 [0,0,0,0,0,0|2,0,2]=4 38 B7R0.5 CCCC(C(C)C)O TS32239 [0,0,0,0,0,0|1,0,3]=4 39 B7R0.5 CCCC(C)C(=C)C TS31970 [0,0,0,0,0,0|2,0,1]=3 40 B7R0.5 CCCC(C)C(=O)C TS04464 [0,0,0,0,0,0|1,0,1]=2 41 B7R0.5 CCCC(C)C(=O)Cl TS05952 [0,0,0,0,0,0|2,0,1]=3 42 B7R0.5 CCCC(C)C(C)C TS04507 [0,0,0,0,0,0|2,0,2]=4 43 B7R0.5 CCCC(C)C(C)O TS32245 [0,0,0,0,0,0|1,0,3]=4 44 B7R0.5 CCC[C@@H](C(=O)N)N TS41224 [0,0,0,0,0,0|2,0,1]=3 45 B7R0.5 CCC[C@@H](C(=O)O)N TS93993 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.5 CCC[C@H](C(=O)O)N TS04664 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.5 CCNC(=O)C(=C)C TS04389 [0,0,0,0,0,0|2,0,0]=2 48 B7R0.5 CCOC(=C(F)F)F TS05121 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.5 CCOC(=O)C(=C)Br TS47658 [0,0,0,0,0,0|2,0,1]=3 50 B7R0.5 CCOC(=O)C(=C)C TS00098 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.5 CCOC(=O)C(=O)C TS01478 [0,0,0,0,0,0|1,0,0]=1 52 B7R0.5 CCOC(=O)C(=O)Cl TS01473 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.5 CCOC(=O)C(=O)N TS32272 [0,0,0,0,0,0|2,0,0]=2 54 B7R0.5 CCOC(=O)C(Br)Br TS27397 [0,0,0,0,0,0|3,0,1]=4 55 B7R0.5 CCOC(=O)C(C)Br TS55906 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.5 CCOC(=O)C(C)C TS32217 [0,0,0,0,0,0|2,0,1]=3 57 B7R0.5 CCOC(=O)C(C)Cl TS55916 [0,0,0,0,0,0|2,0,1]=3 58 B7R0.5 CCOC(=O)C(C)F TS32420 [0,0,0,0,0,0|2,0,1]=3 59 B7R0.5 CCOC(=O)C(C)N TS55877 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.5 CCOC(=O)C(C)O TS04714 [0,0,0,0,0,0|1,0,2]=3 61 B7R0.5 CCOC(=O)C(C)S TS05920 [0,0,0,0,0,0|1,1,1]=3 62 B7R0.5 CCOC(=O)C(Cl)Cl TS10814 [0,0,0,0,0,0|3,0,1]=4 63 B7R0.5 CCOC(=O)C(F)Br TS15410 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.5 CCOC(=O)C(F)Cl TS37443 [0,0,0,0,0,0|3,0,1]=4 65 B7R0.5 CCOC(=O)C(F)F TS39847 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.5 CCOC(=O)C(F)I TS53245 [0,0,0,0,0,0|3,0,1]=4 67 B7R0.5 CCOC(=O)N(Cl)Cl TS10930 [0,0,0,0,0,0|4,0,0]=4 68 B7R0.5 CCOC(=O)[C@@H](C)N TS41313 [0,0,0,0,0,0|2,0,1]=3 69 B7R0.5 CCOC(=O)[C@@H](C)O TS08773 [0,0,0,0,0,0|1,0,2]=3 70 B7R0.5 CCOC(=O)[C@H](C)Cl TS06132 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.5 CCOC(=O)[C@H](C)N TS02287 [0,0,0,0,0,0|2,0,1]=3 72 B7R0.5 CCOC(=O)[C@H](C)O TS04715 [0,0,0,0,0,0|1,0,2]=3 73 B7R0.5 CCOC(=S)C(=O)N TS01481 [0,0,0,0,0,0|2,1,0]=3 74 B7R0.5 CN(C)C(=O)CC#N TS31923 [0,0,0,0,0,0|3,0,1]=4 75 B7R0.5 CNC[C@@H](C(=O)O)N TS32335 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.5 CNC[C@H](C(=O)O)N TS32332 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.5 COCC(C(=O)O)Cl TS55196 [0,0,0,0,0,0|3,0,1]=4 78 B7R0.5 COCC(C(=O)O)N TS32379 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.5 COC[C@@H](C(=O)O)N TS32377 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.5 COC[C@@H](C(=O)O)N TS41554 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.5 COC[C@H](C(=O)O)N TS59337 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.5 CSC[C@@H](C(=O)O)N TS01687 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.1 C(CN)C(=O)CN TS13627 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.1 C(CO)C(=O)CN TS37313 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.1 C=CC(=O)NCO TS31539 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.1 CC#CC(=O)OC TS03761 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.1 CC(=CCCl)C=O TS04765 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.1 CC=C(C)CC=C TS03736 [1,0,0,0,0,0|1,0,2]=4 89 B6R0.1 CC=C(C)CCO TS03864 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.1 CC=CC(=CC)C TS31385 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.1 CC=CC(=O)OC TS56315 [1,0,0,0,0,0|1,0,2]=4 92 B6R0.1 CCC(=O)C=CC TS31436 [1,0,0,0,0,0|0,0,3]=4 93 B6R0.1 CCC(=O)CC#N TS31393 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.1 CCC(=O)CSC TS32357 [1,0,0,0,0,0|1,0,1]=3 95 B6R0.1 CCC(=O)NCC TS03904 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.1 CCC(=O)OCC TS03938 [1,0,0,0,0,0|1,0,1]=3 97 B6R0.1 CCC(=O)SCC TS32362 [1,0,0,0,0,0|1,0,1]=3 98 B6R0.1 CCC=C(C)C=O TS03779 [1,0,0,0,0,0|1,0,1]=3 99 B6R0.1 CCCC(=C)C=O TS31425 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.1 CCCC(=C)CC TS03794 [1,0,0,0,0,0|1,0,1]=3 101 B6R0.1 CCCC(=CC)C TS31455 [1,0,0,0,0,0|1,0,0]=2 102 B6R0.1 CCCC(=O)CC TS31522 [1,0,0,0,0,0|0,0,1]=2 103 B6R0.1 CCCC(=O)NN TS31598 [1,0,0,0,0,0|2,0,0]=3 104 B6R0.1 CCCC(=O)OC TS03955 [1,0,0,0,0,0|1,0,0]=2 105 B6R0.1 CCCC(=S)OC TS32358 [1,0,0,0,0,0|1,1,0]=3 106 B6R0.1 CCCC(C)C=C TS03798 [1,0,0,0,0,0|1,0,2]=4 107 B6R0.1 CCCC(C)C=O TS01565 [1,0,0,0,0,0|1,0,1]=3 108 B6R0.1 CCCC(C)CC TS03886 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.1 CCCC(C)NC TS03920 [1,0,0,0,0,0|2,0,1]=4 110 B6R0.1 CCCC(C=C)O TS03859 [1,0,0,0,0,0|0,0,3]=4 111 B6R0.1 CCCC(CC)Br TS42856 [1,0,0,0,0,0|1,0,2]=4 112 B6R0.1 CCCC(CC)Cl TS04841 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.1 CCCC(CC)I TS44109 [1,0,0,0,0,0|1,0,2]=4 114 B6R0.1 CCCC(CC)N TS31564 [1,0,0,0,0,0|1,0,2]=4 115 B6R0.1 CCCC(CC)O TS31611 [1,0,0,0,0,0|0,0,3]=4 116 B6R0.1 CCCC(CC)S TS40939 [1,0,0,0,0,0|0,1,2]=4 117 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,0,0,0,0,0|1,0,2]=4 118 B6R0.1 CCCN(C)N=O TS31599 [1,0,0,0,0,0|3,0,0]=4 119 B6R0.1 CCNC(=O)C=C TS03826 [1,0,0,0,0,0|1,0,1]=3 120 B6R0.1 CCNC(=O)CCl TS04876 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.1 CCNC(=O)OC TS31636 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.1 CCOC(=O)C#C TS03762 [1,0,0,0,0,0|1,0,2]=4 123 B6R0.1 CCOC(=O)C#N TS31469 [1,0,0,0,0,0|2,0,1]=4 124 B6R0.1 CCOC(=O)C=C TS33216 [1,0,0,0,0,0|1,0,1]=3 125 B6R0.1 CCOC(=O)C=O TS56148 [1,0,0,0,0,0|1,0,0]=2 126 B6R0.1 CCOC(=O)CBr TS56141 [1,0,0,0,0,0|2,0,1]=4 127 B6R0.1 CCOC(=O)CCl TS39825 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.1 CCOC(=O)CF TS65215 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.1 CCOC(=O)CN TS31646 [1,0,0,0,0,0|2,0,1]=4 130 B6R0.1 CCOC(=O)CN TS33221 [1,0,0,0,0,0|2,0,1]=4 131 B6R0.1 CCOC(=O)CO TS56147 [1,0,0,0,0,0|1,0,2]=4 132 B6R0.1 CCOC(=O)CS TS01466 [1,0,0,0,0,0|1,1,1]=4 133 B6R0.1 CCOC(=O)NC TS31637 [1,0,0,0,0,0|2,0,0]=3 134 B6R0.1 CCOC(=O)NN TS59780 [1,0,0,0,0,0|3,0,0]=4 135 B6R0.1 CCOC(=O)NO TS04067 [1,0,0,0,0,0|2,0,1]=4 136 B6R0.1 CCOC(=O)OC TS31662 [1,0,0,0,0,0|2,0,0]=3 137 B6R0.1 CNC(=O)CC#N TS55304 [1,0,0,0,0,0|2,0,1]=4 138 B6R0.1 CNCC(=O)OC TS01682 [1,0,0,0,0,0|2,0,0]=3 139 B6R0.1 COC(=O)CC#N TS31466 [1,0,0,0,0,0|2,0,1]=4 140 B6R0.1 COC(=O)CC=C TS31502 [1,0,0,0,0,0|1,0,2]=4 141 B6R0.1 COC(=O)CCBr TS56269 [1,0,0,0,0,0|2,0,0]=3 142 B6R0.1 COC(=O)CCCl TS04939 [1,0,0,0,0,0|2,0,0]=3 143 B6R0.1 COC(=O)CCN TS08577 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.1 COC(=O)CCO TS65233 [1,0,0,0,0,0|2,0,0]=3 145 B6R0.1 COC(=O)CCS TS04824 [1,0,0,0,0,0|2,0,0]=3 146 B6R0.1 COC(=O)CSC TS39398 [1,0,0,0,0,0|2,0,0]=3 147 B6R0.1 COC(=O)C[N+]#[C-] TS31464 [1,0,0,0,0,0|2,0,1]=4 148 B6R0.1 COCC(=O)OC TS39892 [1,0,0,0,0,0|2,0,0]=3 149 B6R0.3 C(=O)(C(=O)NN)N TS31631 [1,0,0,0,0,0|3,0,0]=4 150 B6R0.3 C(C(=O)C(=O)O)Br TS43180 [1,0,0,0,0,0|2,0,0]=3 151 B6R0.3 C(C(=O)C(=O)O)Cl TS04936 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.3 C(C(=O)C(=O)[O-])F TS05303 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.3 C(C(=O)C(=O)[O-])O TS05302 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.3 C(C(=O)C(=O)[O-])S TS06647 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.3 C=C(CBr)C(=O)O TS42841 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.3 CC(=C)C(=O)NC TS03820 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.3 CC(=C)C(=O)OC TS31500 [1,0,0,0,0,0|2,0,0]=3 158 B6R0.3 CC(=NO)C(=O)C TS31543 [1,0,0,0,0,0|3,0,0]=4 159 B6R0.3 CC(=O)C(=O)OC TS31579 [1,0,0,0,0,0|1,0,0]=2 160 B6R0.3 CC(=O)N(C)OC TS56410 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.3 CC(C(=O)C)SC TS32356 [1,0,0,0,0,0|2,0,1]=4 162 B6R0.3 CC(C(=O)OC)Br TS12330 [1,0,0,0,0,0|2,0,1]=4 163 B6R0.3 CC(C(=O)OC)Br TS93879 [1,0,0,0,0,0|2,0,1]=4 164 B6R0.3 CC(C(=O)OC)Cl TS04944 [1,0,0,0,0,0|2,0,1]=4 165 B6R0.3 CC(C(=O)OC)N TS55725 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.3 CC(C(=O)OC)O TS31661 [1,0,0,0,0,0|1,0,2]=4 167 B6R0.3 CC(C)C(=O)CBr TS00029 [1,0,0,0,0,0|2,0,1]=4 168 B6R0.3 CC(C)C(=O)OC TS03944 [1,0,0,0,0,0|2,0,1]=4 169 B6R0.3 CC(CO)C(=O)C TS03953 [1,0,0,0,0,0|2,0,1]=4 170 B6R0.3 CC=C(C)C(=O)C TS31447 [1,0,0,0,0,0|1,0,1]=3 171 B6R0.3 CC=C(C)C(=O)Cl TS04767 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.3 CC=C(C)C(=O)O TS03838 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.3 CC=C(C)C(=O)O TS03840 [1,0,0,0,0,0|2,0,1]=4 174 B6R0.3 CCC(=C(F)F)F TS04180 [1,0,0,0,0,0|3,0,0]=4 175 B6R0.3 CCC(=C)C(C)C TS03792 [1,0,0,0,0,0|2,0,1]=4 176 B6R0.3 CCC(=O)C(=O)C TS03844 [1,0,0,0,0,0|0,0,0]=1 177 B6R0.3 CCC(=O)C(=O)O TS31578 [1,0,0,0,0,0|1,0,0]=2 178 B6R0.3 CCC(=O)C(=O)[O-] TS05001 [1,0,0,0,0,0|1,0,0]=2 179 B6R0.3 CCC(=O)C(C)C TS31520 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.3 CCC(=O)N(C)C TS31553 [1,0,0,0,0,0|2,0,0]=3 181 B6R0.3 CCC(C(=C)C)O TS31517 [1,0,0,0,0,0|1,0,2]=4 182 B6R0.3 CCC(C(=O)Br)Br TS52915 [1,0,0,0,0,0|2,0,1]=4 183 B6R0.3 CCC(C(=O)C)S TS32355 [1,0,0,0,0,0|0,1,1]=3 184 B6R0.3 CCC(C(=O)Cl)Br TS48787 [1,0,0,0,0,0|2,0,1]=4 185 B6R0.3 CCC(C(=O)Cl)Cl TS37465 [1,0,0,0,0,0|2,0,1]=4 186 B6R0.3 CCC(C(=O)N)Cl TS04875 [1,0,0,0,0,0|2,0,1]=4 187 B6R0.3 CCC(C(=O)N)N TS93870 [1,0,0,0,0,0|2,0,1]=4 188 B6R0.3 CCC(C(=O)N)N TS94086 [1,0,0,0,0,0|2,0,1]=4 189 B6R0.3 CCC(C(=O)O)Br TS12329 [1,0,0,0,0,0|2,0,1]=4 190 B6R0.3 CCC(C(=O)O)Cl TS04940 [1,0,0,0,0,0|2,0,1]=4 191 B6R0.3 CCC(C(=O)O)N TS45781 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.3 CCC(C(=O)O)N TS47470 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.3 CCC(C(=O)O)O TS31670 [1,0,0,0,0,0|1,0,2]=4 194 B6R0.3 CCC(C(=O)[O-])O TS05131 [1,0,0,0,0,0|1,0,2]=4 195 B6R0.3 CCC(C)C(=O)C TS31518 [1,0,0,0,0,0|1,0,1]=3 196 B6R0.3 CCC(C)C(=O)Cl TS04836 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.3 CCC(C)C(=O)O TS03945 [1,0,0,0,0,0|2,0,1]=4 198 B6R0.3 CCN(C)C(=O)Cl TS56394 [1,0,0,0,0,0|3,0,0]=4 199 B6R0.3 CC[C@@H](C(=O)O)Br TS12334 [1,0,0,0,0,0|2,0,1]=4 200 B6R0.3 CC[C@@H](C(=O)O)N TS46633 [1,0,0,0,0,0|2,0,1]=4 201 B6R0.3 CC[C@@H](C(=O)O)O TS08124 [1,0,0,0,0,0|1,0,2]=4 202 B6R0.3 CC[C@H](C(=O)N)N TS93011 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.3 CC[C@H](C(=O)O)Br TS12332 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.3 CC[C@H](C(=O)O)N TS64880 [1,0,0,0,0,0|2,0,1]=4 205 B6R0.3 CN(C)C(=O)CCl TS55283 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.3 CN(C)C(=O)CN TS00812 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.3 CN(C)C(=O)CN TS40036 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.3 CNC(=O)N(C)C TS31600 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.3 COC(=O)C(=C)F TS31658 [1,0,0,0,0,0|2,0,1]=4 210 B6R0.3 COC(=O)C(=O)Cl TS34587 [1,0,0,0,0,0|2,0,0]=3 211 B6R0.3 COC(=O)C(=O)N TS31629 [1,0,0,0,0,0|2,0,0]=3 212 B6R0.3 C[C@@H](C(=O)OC)N TS37314 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.3 C[C@@H](C(=O)OC)O TS39673 [1,0,0,0,0,0|1,0,2]=4 214 B6R0.3 C[C@H](C(=O)OC)F TS31728 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.3 C[C@H](C(=O)OC)N TS01765 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.3 C[C@H](C(=O)OC)O TS04018 [1,0,0,0,0,0|1,0,2]=4 217 B6R0.4 C(C=CC(=O)O)Br TS42842 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.4 C(C=CC(=O)O)O TS31577 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.4 C(CBr)C=C(F)F TS12949 [1,0,0,0,0,0|3,0,0]=4 220 B6R0.4 C(CBr)OC(=O)Cl TS50601 [1,0,0,0,0,0|3,0,0]=4 221 B6R0.4 C(CC(=O)Cl)CBr TS94813 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.4 C(CC(=O)Cl)CCl TS33157 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.4 C(CC(=O)N)CN TS37256 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.4 C(CC(=O)O)CBr TS39744 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.4 C(CC(=O)O)CI TS44433 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.4 C(CC(=O)O)CN TS31643 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.4 C(CC(=O)[O-])CO TS01692 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.4 C(CCl)NC(=O)N TS04945 [1,0,0,0,0,0|3,0,0]=4 229 B6R0.4 C(CCl)OC(=O)Cl TS06815 [1,0,0,0,0,0|3,0,0]=4 230 B6R0.4 C(CCl)OC(=O)N TS04987 [1,0,0,0,0,0|3,0,0]=4 231 B6R0.4 C(CO)NC(=O)N TS04021 [1,0,0,0,0,0|3,0,0]=4 232 B6R0.4 CC(=C)CCCO TS31523 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.4 CC(=CCC=C)C TS03719 [1,0,0,0,0,0|1,0,2]=4 234 B6R0.4 CC(=CCCO)C TS03867 [1,0,0,0,0,0|2,0,0]=3 235 B6R0.4 CC(=CCO[SiH3])C TS04642 [1,0,0,0,0,0|2,1,0]=4 236 B6R0.4 CC(=O)C=COC TS03850 [1,0,0,0,0,0|1,0,1]=3 237 B6R0.4 CC(=O)CCC=C TS31440 [1,0,0,0,0,0|0,0,3]=4 238 B6R0.4 CC(=O)CCCCl TS03260 [1,0,0,0,0,0|1,0,1]=3 239 B6R0.4 CC(=O)CCCO TS39779 [1,0,0,0,0,0|1,0,1]=3 240 B6R0.4 CC(=O)CCSC TS32359 [1,0,0,0,0,0|1,0,1]=3 241 B6R0.4 CC(=O)NCCN TS31596 [1,0,0,0,0,0|2,0,0]=3 242 B6R0.4 CC(=O)NCCO TS03989 [1,0,0,0,0,0|2,0,0]=3 243 B6R0.4 CC(=O)NCCS TS04795 [1,0,0,0,0,0|2,0,0]=3 244 B6R0.4 CC(=O)OCC#C TS03765 [1,0,0,0,0,0|1,0,2]=4 245 B6R0.4 CC(=O)OCC=C TS03845 [1,0,0,0,0,0|1,0,2]=4 246 B6R0.4 CC(=O)OCC=O TS31580 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.4 CC(=O)OCCBr TS55164 [1,0,0,0,0,0|2,0,0]=3 248 B6R0.4 CC(=O)OCCCl TS04941 [1,0,0,0,0,0|2,0,0]=3 249 B6R0.4 CC(=O)OCCO TS31665 [1,0,0,0,0,0|2,0,0]=3 250 B6R0.4 CCC#CC(=C)C TS03675 [1,0,0,0,0,0|1,0,2]=4 251 B6R0.4 CCC#CC(=O)C TS31369 [1,0,0,0,0,0|0,0,2]=3 252 B6R0.4 CCC#CC(=O)O TS03759 [1,0,0,0,0,0|1,0,2]=4 253 B6R0.4 CCC=CC(=O)C TS31424 [1,0,0,0,0,0|0,0,1]=2 254 B6R0.4 CCC=CC(=O)O TS03448 [1,0,0,0,0,0|1,0,1]=3 255 B6R0.4 CCC=CC(=O)O TS31503 [1,0,0,0,0,0|1,0,1]=3 256 B6R0.4 CCC=CC(C)C TS03789 [1,0,0,0,0,0|1,0,2]=4 257 B6R0.4 CCCCC(=C)C TS31452 [1,0,0,0,0,0|1,0,1]=3 258 B6R0.4 CCCCC(=O)Br TS42846 [1,0,0,0,0,0|1,0,1]=3 259 B6R0.4 CCCCC(=O)C TS31529 [1,0,0,0,0,0|0,0,1]=2 260 B6R0.4 CCCCC(=O)Cl TS32451 [1,0,0,0,0,0|1,0,1]=3 261 B6R0.4 CCCCC(=O)N TS31554 [1,0,0,0,0,0|1,0,1]=3 262 B6R0.4 CCCCC(=O)O TS03958 [1,0,0,0,0,0|1,0,1]=3 263 B6R0.4 CCCCC(=O)[O-] TS04789 [1,0,0,0,0,0|1,0,1]=3 264 B6R0.4 CCCCC(=O)[O-] TS30457 [1,0,0,0,0,0|1,0,1]=3 265 B6R0.4 CCCCC(C)Br TS42855 [1,0,0,0,0,0|1,0,2]=4 266 B6R0.4 CCCCC(C)C TS03881 [1,0,0,0,0,0|1,0,2]=4 267 B6R0.4 CCCCC(C)Cl TS04843 [1,0,0,0,0,0|1,0,2]=4 268 B6R0.4 CCCCC(C)I TS44108 [1,0,0,0,0,0|1,0,2]=4 269 B6R0.4 CCCCC(C)N TS31565 [1,0,0,0,0,0|1,0,2]=4 270 B6R0.4 CCCCC(C)O TS31617 [1,0,0,0,0,0|0,0,3]=4 271 B6R0.4 CCCCN(C)C TS03927 [1,0,0,0,0,0|2,0,1]=4 272 B6R0.4 CCCC[C@@H](C)N TS03923 [1,0,0,0,0,0|1,0,2]=4 273 B6R0.4 CCCC[C@@H](C)O TS03965 [1,0,0,0,0,0|0,0,3]=4 274 B6R0.4 CCCC[C@H](C)N TS03919 [1,0,0,0,0,0|1,0,2]=4 275 B6R0.4 CCCC[C@H](C)O TS31613 [1,0,0,0,0,0|0,0,3]=4 276 B6R0.4 CCCC[N+](=O)[O-] TS31647 [1,0,0,0,0,0|2,0,1]=4 277 B6R0.4 CCCC[Si](C)C TS04645 [1,0,0,0,0,0|1,1,1]=4 278 B6R0.4 CCCC[Sn](=O)O TS43570 [1,0,0,0,0,0|2,0,1]=4 279 B6R0.4 CCCNC(=O)N TS31594 [1,0,0,0,0,0|2,0,0]=3 280 B6R0.4 CCCNC(=O)[O-] TS31634 [1,0,0,0,0,0|2,0,0]=3 281 B6R0.4 CCCNC(C)C TS03926 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.4 CCCOC(=O)C TS03949 [1,0,0,0,0,0|1,0,0]=2 283 B6R0.4 CCCOC(=O)Cl TS55808 [1,0,0,0,0,0|2,0,0]=3 284 B6R0.4 CCCON(=O)=O TS04066 [1,0,0,0,0,0|3,0,0]=4 285 B6R0.4 CCCSC(=O)C TS32364 [1,0,0,0,0,0|1,0,0]=2 286 B6R0.4 CCCSC(=O)Cl TS06329 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.4 CCCSC(C)C TS32368 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.4 CCNCC(=C)C TS03829 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.4 CCNCC(=O)O TS01936 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.4 CCOCC(=O)O TS16814 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.4 CCSCC(=O)C TS32360 [1,0,0,0,0,0|1,0,1]=3 292 B6R0.4 CCSCC(=O)O TS04822 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.4 CNCCC(=O)O TS03990 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.4 COCCC(=O)O TS31660 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.2 CCC(C(C(=O)O)N)O TS05812 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.2 CCC(C)C(=O)C(=O)O TS05535 [0,1,0,0,0,0|1,0,0]=2 297 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS41092 [0,1,0,0,0,0|1,0,0]=2 298 B8R0.2 CCC(C)C(=O)C(=O)[O-] TS56035 [0,1,0,0,0,0|1,0,0]=2 299 B8R0.2 CCC(C)C(=O)C(C)C TS05377 [0,1,0,0,0,0|1,0,1]=3 300 B8R0.2 CCC(C)C(C(=O)O)Br TS51945 [0,1,0,0,0,0|2,0,1]=4 301 B8R0.2 CCC(C)C(C(=O)O)N TS05653 [0,1,0,0,0,0|2,0,1]=4 302 B8R0.2 CCC(C)C(C(=O)O)N TS36597 [0,1,0,0,0,0|2,0,1]=4 303 B8R0.2 CCC(C)C(C)C(=O)C TS05380 [0,1,0,0,0,0|1,0,1]=3 304 B8R0.2 CC[C@@H](C)[C@@H](C(=O)O)N TS05657 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.2 CC[C@@H](C)[C@H](C(=O)O)N TS36608 [0,1,0,0,0,0|2,0,1]=4 306 B8R0.2 CC[C@@H]([C@@H](C(=O)O)Br)Br TS68327 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.2 CC[C@@H]([C@@H](C(=O)O)N)O TS05821 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.2 CC[C@H](C)C(=O)C(=O)[O-] TS56033 [0,1,0,0,0,0|1,0,0]=2 309 B8R0.2 CC[C@H](C)[C@@H](C(=O)N)N TS43164 [0,1,0,0,0,0|2,0,1]=4 310 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)Cl TS09971 [0,1,0,0,0,0|2,0,1]=4 311 B8R0.2 CC[C@H](C)[C@@H](C(=O)O)N TS09198 [0,1,0,0,0,0|2,0,1]=4 312 B8R0.2 CC[C@H](C)[C@H](C(=O)O)N TS01766 [0,1,0,0,0,0|2,0,1]=4 313 B8R0.2 CC[C@H]([C@H](C(=O)O)N)O TS05820 [0,1,0,0,0,0|2,0,1]=4 314 B8R0.3 CC(CCCl)C(=O)OC TS09965 [0,1,0,0,0,0|2,0,1]=4 315 B8R0.3 CC(CCN)C(=O)CO TS36604 [0,1,0,0,0,0|2,0,1]=4 316 B8R0.3 CCC(C(=O)OCC)Br TS51943 [0,1,0,0,0,0|2,0,1]=4 317 B8R0.3 CCC(C(=O)OCC)N TS05659 [0,1,0,0,0,0|2,0,1]=4 318 B8R0.3 CCC(C(=O)OCC)O TS05723 [0,1,0,0,0,0|1,0,2]=4 319 B8R0.3 CCC(C)C(=O)OCC TS36496 [0,1,0,0,0,0|2,0,1]=4 320 B8R0.3 CCCC(=O)C(C)CC TS36333 [0,1,0,0,0,0|1,0,1]=3 321 B8R0.3 CCCC(C(=O)OC)Br TS93475 [0,1,0,0,0,0|1,0,1]=3 322 B8R0.3 CCCC(C)C(=O)OC TS05547 [0,1,0,0,0,0|1,0,1]=3 323 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [0,1,0,0,0,0|1,0,1]=3 324 B8R0.3 CCOC(=O)C(=C)C#N TS05068 [0,1,0,0,0,0|2,0,1]=4 325 B8R0.3 CCOC(=O)C(=C)CBr TS00209 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.3 CCOC(=O)C(=C)CCl TS40705 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.3 CCOC(=O)C(=C)CO TS08483 [0,1,0,0,0,0|2,0,0]=3 328 B8R0.3 CCOC(=O)C(=CC)C TS05350 [0,1,0,0,0,0|2,0,0]=3 329 B8R0.3 CCOC(=O)C(=NO)Cl TS55909 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.3 CCOC(=O)C(=O)CBr TS56142 [0,1,0,0,0,0|1,0,0]=2 331 B8R0.3 CCOC(=O)C(C)C#N TS55919 [0,1,0,0,0,0|2,0,1]=4 332 B8R0.3 CCOC(=O)C(CBr)Br TS08484 [0,1,0,0,0,0|2,0,1]=4 333 B8R0.3 CCOC(=O)C(CCl)Cl TS12952 [0,1,0,0,0,0|2,0,1]=4 334 B8R0.3 CCOC(=O)N(C)N=O TS36643 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.3 CCOC(=O)[C@@H](CO)N TS45049 [0,1,0,0,0,0|2,0,1]=4 336 B8R0.3 CCOC(=O)[C@H](C)OC TS05726 [0,1,0,0,0,0|1,0,2]=4 337 B8R0.3 CCOC(=O)[C@H](CO)N TS45053 [0,1,0,0,0,0|2,0,1]=4 338 B8R0.3 CCOC(=O)[C@H](CS)N TS15539 [0,1,0,0,0,0|2,0,1]=4 339 B8R0.3 COC(=O)C(CCBr)Br TS68328 [0,1,0,0,0,0|2,0,1]=4 340 B8R0.3 COCC(C(=O)OC)Br TS53797 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.8 C(CC(=C(F)F)F)CO TS06419 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.8 C(CC(C(=O)O)N)CN TS12622 [0,1,0,0,0,0|2,0,1]=4 343 B8R0.8 C(CC(C(=O)O)N)CN TS21454 [0,1,0,0,0,0|2,0,1]=4 344 B8R0.8 C(CC(C(=O)O)N)CN TS38757 [0,1,0,0,0,0|2,0,1]=4 345 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS07674 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS36671 [0,1,0,0,0,0|2,0,1]=4 347 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS51453 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.8 C(C[C@@H](C(=O)O)N)CN TS74512 [0,1,0,0,0,0|2,0,1]=4 349 B8R0.8 C(C[C@H](C(=O)O)N)CN TS12623 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.8 CC(=C)C(=O)NCC=C TS36063 [0,1,0,0,0,0|1,0,2]=4 351 B8R0.8 CC(=C)C(=O)NCCO TS36409 [0,1,0,0,0,0|2,0,0]=3 352 B8R0.8 CC(=C)C(=O)NCOC TS36403 [0,1,0,0,0,0|2,0,0]=3 353 B8R0.8 CC(=C)C(=O)OCC#C TS32595 [0,1,0,0,0,0|1,0,2]=4 354 B8R0.8 CC(=C)C(=O)OCCBr TS17607 [0,1,0,0,0,0|2,0,0]=3 355 B8R0.8 CC(=C)C(=O)OCCCl TS40704 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.8 CC(=C)C(=O)OCCF TS36652 [0,1,0,0,0,0|2,0,0]=3 357 B8R0.8 CC(=C)C(=O)OCCN TS42970 [0,1,0,0,0,0|2,0,0]=3 358 B8R0.8 CC(=C)C(=O)OCCO TS05522 [0,1,0,0,0,0|2,0,0]=3 359 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,1,0,0,0,0|1,0,2]=4 360 B8R0.8 CC(CCC#N)C(=O)C TS36070 [0,1,0,0,0,0|1,0,2]=4 361 B8R0.8 CCCC=C(C)C(=O)O TS36301 [0,1,0,0,0,0|2,0,0]=3 362 B8R0.8 CCCCC(=C(C)C)C TS05209 [0,1,0,0,0,0|2,0,0]=3 363 B8R0.8 CCCCC(=O)C(=O)C TS05337 [0,1,0,0,0,0|0,0,0]=1 364 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [0,1,0,0,0,0|1,0,0]=2 365 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,1,0,0,0,0|1,0,1]=3 366 B8R0.8 CCCCC(=O)N(C)C TS05483 [0,1,0,0,0,0|2,0,0]=3 367 B8R0.8 CCCCC(C(=C)C)O TS36338 [0,1,0,0,0,0|1,0,2]=4 368 B8R0.8 CCCCC(C(=O)Br)Br TS68068 [0,1,0,0,0,0|2,0,1]=4 369 B8R0.8 CCCCC(C(=O)Cl)Br TS21557 [0,1,0,0,0,0|2,0,1]=4 370 B8R0.8 CCCCC(C(=O)N)N TS43162 [0,1,0,0,0,0|2,0,1]=4 371 B8R0.8 CCCCC(C(=O)O)Br TS51947 [0,1,0,0,0,0|2,0,1]=4 372 B8R0.8 CCCCC(C(=O)O)N TS05663 [0,1,0,0,0,0|2,0,1]=4 373 B8R0.8 CCCCC(C(=O)O)O TS05717 [0,1,0,0,0,0|1,0,2]=4 374 B8R0.8 CCCCC(C)C(=O)C TS05385 [0,1,0,0,0,0|1,0,1]=3 375 B8R0.8 CCCCC(C)C(=O)Cl TS07516 [0,1,0,0,0,0|2,0,1]=4 376 B8R0.8 CCCCC(C)C(=O)O TS05567 [0,1,0,0,0,0|2,0,1]=4 377 B8R0.8 CCCC[C@@H](C(=O)N)N TS43160 [0,1,0,0,0,0|2,0,1]=4 378 B8R0.8 CCCC[C@@H](C(=O)O)N TS36593 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.8 CCCC[C@H](C(=O)O)N TS05658 [0,1,0,0,0,0|2,0,1]=4 380 B8R0.8 CCCOC(=O)C(=C)C TS36313 [0,1,0,0,0,0|1,0,0]=2 381 B8R0.8 CCCOC(=O)C(=O)C TS40210 [0,1,0,0,0,0|0,0,0]=1 382 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,1,0,0,0,0|0,0,2]=3 383 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,1,0,0,0,0|0,0,2]=3 384 B8R0.8 CCSC[C@@H](C(=O)O)N TS07588 [0,1,0,0,0,0|2,0,1]=4 385 B8R0.8 CN(C)C(=O)CCCCl TS40801 [0,1,0,0,0,0|2,0,0]=3 386 B8R0.8 CSCCC(=O)C(=O)[O-] TS12781 [0,1,0,0,0,0|1,0,0]=2 387 B8R0.8 CSCCC(C(=O)O)N TS37819 [0,1,0,0,0,0|2,0,1]=4 388 B8R0.8 CSCCC(C(=O)O)N TS61974 [0,1,0,0,0,0|2,0,1]=4 389 B8R0.8 CSCCC(C(=O)O)O TS65052 [0,1,0,0,0,0|1,0,2]=4 390 B8R0.8 CSCCC(C(=O)[O-])O TS78392 [0,1,0,0,0,0|1,0,2]=4 391 B8R0.8 CSCC[C@@H](C(=O)N)N TS07498 [0,1,0,0,0,0|2,0,1]=4 392 B8R0.8 CSCC[C@@H](C(=O)N)N TS15401 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.8 CSCC[C@@H](C(=O)O)N TS07583 [0,1,0,0,0,0|2,0,1]=4 394 B8R0.8 CSCC[C@@H](C(=O)O)N TS09902 [0,1,0,0,0,0|2,0,1]=4 395 B8R0.8 CSCC[C@@H](C(=O)O)N TS35372 [0,1,0,0,0,0|2,0,1]=4 396 B8R0.8 CSCC[C@@H](C(=O)O)N TS93972 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.8 CSCC[C@H](C(=O)[O-])N TS12996 [0,1,0,0,0,0|2,0,1]=4 398 B8R0.8 C[Se]CCC(C(=O)O)N TS53596 [0,1,0,0,0,0|2,0,1]=4 399 B8R0.8 C[Se]CCC(C(=O)O)N TS93321 [0,1,0,0,0,0|2,0,1]=4 400 B8R0.8 C[Se]CC[C@@H](C(=O)O)N TS64910 [0,1,0,0,0,0|2,0,1]=4 401 B8R0.12 CCCC(C)(C(=O)O)N TS36607 [0,1,0,0,0,0|2,0,1]=4 402 B8R0.12 CCCC(C)(C)C(=O)Cl TS07514 [0,1,0,0,0,0|2,0,1]=4 403 B8R0.12 CCC[C@](C)(C(=O)O)N TS05655 [0,1,0,0,0,0|2,0,1]=4 404 B8R0.12 CCOP(=O)(C(=O)N)[O-] TS12752 [0,1,0,0,0,0|3,0,0]=4 405 B8R0.14 CCCC(=O)C(C)(C)C TS05378 [0,1,0,0,0,0|1,0,1]=3 406 B8R0.14 CCOC(=O)C(C)(C)Br TS55167 [0,1,0,0,0,0|2,0,1]=4 407 B8R0.14 CCOC(=O)C(C)(C)C TS36504 [0,1,0,0,0,0|2,0,1]=4 408 B8R0.14 CCOC(=O)C(C)(C)N TS43281 [0,1,0,0,0,0|2,0,1]=4 409 B8R0.14 CCOC(=O)C(C)(C)O TS36659 [0,1,0,0,0,0|1,0,2]=4 410 B8R0.14 CCOC(=O)C(C)(F)F TS06224 [0,1,0,0,0,0|2,0,1]=4 411 B8R0.15 CCC[C@@H](C(=O)O)NC TS36587 [0,1,0,0,0,0|2,0,1]=4 412 B8R0.15 CCC[C@@H](CO)C(=O)O TS36660 [0,1,0,0,0,0|1,0,2]=4 413 B8R0.23 C(C(=O)C(=O)O)C(=O)O TS05694 [0,1,0,0,0,0|2,0,1]=4 414 B8R0.23 CC(=O)CC(=O)N(C)C TS36402 [0,1,0,0,0,0|2,0,1]=4 415 B8R0.23 CC(C)C(=O)OC(C)C TS05557 [0,1,0,0,0,0|2,0,1]=4 416 B8R0.23 CC(C)C=C(C)C(=O)O TS36308 [0,1,0,0,0,0|2,0,1]=4 417 B8R0.23 CC(C)CC(=O)C(=O)C TS36294 [0,1,0,0,0,0|0,0,0]=1 418 B8R0.23 CC(C)CC(=O)C(=O)O TS05517 [0,1,0,0,0,0|1,0,0]=2 419 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS41088 [0,1,0,0,0,0|1,0,0]=2 420 B8R0.23 CC(C)CC(=O)C(=O)[O-] TS56034 [0,1,0,0,0,0|1,0,0]=2 421 B8R0.23 CC(C)CC(=O)C(C)C TS36332 [0,1,0,0,0,0|1,0,1]=3 422 B8R0.23 CC(C)CC(C(=O)N)N TS43163 [0,1,0,0,0,0|2,0,1]=4 423 B8R0.23 CC(C)CC(C(=O)O)Br TS51948 [0,1,0,0,0,0|2,0,1]=4 424 B8R0.23 CC(C)CC(C(=O)O)N TS36599 [0,1,0,0,0,0|2,0,1]=4 425 B8R0.23 CC(C)CC(C(=O)O)N TS36676 [0,1,0,0,0,0|2,0,1]=4 426 B8R0.23 CC(C)CC(C(=O)O)O TS05722 [0,1,0,0,0,0|1,0,2]=4 427 B8R0.23 CC(C)CC(C)C(=O)O TS36502 [0,1,0,0,0,0|2,0,1]=4 428 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS36522 [0,1,0,0,0,0|2,0,1]=4 429 B8R0.23 CC(C)C[C@@H](C(=O)N)N TS43161 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.23 CC(C)C[C@@H](C(=O)O)Br TS17994 [0,1,0,0,0,0|2,0,1]=4 431 B8R0.23 CC(C)C[C@@H](C(=O)O)Cl TS09969 [0,1,0,0,0,0|2,0,1]=4 432 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS01527 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS18946 [0,1,0,0,0,0|2,0,1]=4 434 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS36675 [0,1,0,0,0,0|2,0,1]=4 435 B8R0.23 CC(C)C[C@@H](C(=O)O)N TS93953 [0,1,0,0,0,0|2,0,1]=4 436 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS05731 [0,1,0,0,0,0|1,0,2]=4 437 B8R0.23 CC(C)C[C@@H](C(=O)O)O TS94480 [0,1,0,0,0,0|1,0,2]=4 438 B8R0.23 CC(C)C[C@H](C(=O)N)N TS43166 [0,1,0,0,0,0|2,0,1]=4 439 B8R0.23 CC(C)C[C@H](C(=O)O)N TS59534 [0,1,0,0,0,0|2,0,1]=4 440 B8R0.23 CC(C)NC(=O)C(=C)C TS05277 [0,1,0,0,0,0|2,0,0]=3 441 B8R0.23 CC(C)OC(=O)C(=C)C TS05342 [0,1,0,0,0,0|2,0,0]=3 442 B8R0.23 CC(C)OC(=O)C(C)O TS05725 [0,1,0,0,0,0|1,0,2]=4 443 B8R0.23 CC(CN(C)C)C(=O)C TS05484 [0,1,0,0,0,0|2,0,1]=4 444 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS12447 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.23 C[C@@H](C(=O)OC(C)C)N TS93955 [0,1,0,0,0,0|2,0,1]=4 446 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,0,0,1,0,0|2,0,1]=4 447 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,0,0,1,0,0|1,0,2]=4 448 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,0,0,1,0,0|0,0,0]=1 449 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,0,0,1,0,0|1,0,1]=3 450 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,0,0,1,0,0|1,0,1]=3 451 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,0,0,1,0,0|0,0,2]=3 452 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,0,0,1,0,0|2,0,0]=3 453 B8R1.5 C1CNC(=O)C(=O)N1 TS32054 [0,0,0,1,0,0|2,0,0]=3 454 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,0,0,1,0,0|2,0,1]=4 455 B8R1.5 C1CNCC(C1=O)F TS88150 [0,0,0,1,0,0|2,0,1]=4 456 B8R1.5 C1COCC(C1=O)Br TS87523 [0,0,0,1,0,0|2,0,1]=4 457 B8R1.5 C1COCC(C1=O)F TS90072 [0,0,0,1,0,0|2,0,1]=4 458 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,0,0,1,0,0|2,0,1]=4 459 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,0,0,1,0,0|2,0,1]=4 460 B8R1.5 CC1=C(CCCC1)C TS31858 [0,0,0,1,0,0|2,0,0]=3 461 B8R1.5 CC1=CCCCC1=O TS31839 [0,0,0,1,0,0|1,0,0]=2 462 B8R1.5 CC1=NCCCN1C TS04326 [0,0,0,1,0,0|3,0,0]=4 463 B8R1.5 CC1CCCC=C1C TS31849 [0,0,0,1,0,0|2,0,1]=4 464 B8R1.5 CC1CCCCC1=C TS31851 [0,0,0,1,0,0|2,0,1]=4 465 B8R1.5 CC1CCCCC1=O TS01136 [0,0,0,1,0,0|1,0,1]=3 466 B8R1.5 CC1CCNCC1=O TS92225 [0,0,0,1,0,0|2,0,1]=4 467 B8R1.5 CC1CNCCC1=O TS02832 [0,0,0,1,0,0|2,0,1]=4 468 B8R1.5 CC1CNCCC1=O TS70671 [0,0,0,1,0,0|2,0,1]=4 469 B8R1.5 CC1COCCC1=O TS89718 [0,0,0,1,0,0|2,0,1]=4 470 B8R1.5 CN1CCCCC1=O TS04393 [0,0,0,1,0,0|2,0,0]=3 471 B8R1.5 CN1CCNCC1=O TS89214 [0,0,0,1,0,0|3,0,0]=4 472 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,0,0,1,0,0|2,0,1]=4 473 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,0,0,1,0,0|2,0,1]=4 474 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,0,0,1,0,0|1,0,2]=4 475 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [0,0,0,1,0,0|2,0,0]=3 476 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [0,0,0,1,0,0|2,0,1]=4 477 B8R1.7 C1CCC(C1)C(=O)N TS04395 [0,0,0,1,0,0|2,0,1]=4 478 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,0,0,1,0,0|2,0,1]=4 479 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [0,0,0,1,0,0|3,0,0]=4 480 B8R1.7 C1COC=C1C(=O)O TS32035 [0,0,0,1,0,0|3,0,0]=4 481 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,0,0,1,0,0|2,0,1]=4 482 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,0,0,1,0,0|2,0,1]=4 483 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,0,0,1,0,0|2,0,1]=4 484 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,0,0,1,0,0|2,0,1]=4 485 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,0,0,1,0,0|1,0,2]=4 486 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,0,0,1,0,0|2,0,1]=4 487 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,0,0,1,0,0|2,0,1]=4 488 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,0,0,1,0,0|2,0,1]=4 489 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,0,0,1,0,0|1,0,2]=4 490 B8R1.7 CC(=O)C1=CCCC1 TS31835 [0,0,0,1,0,0|1,0,0]=2 491 B8R1.7 CC(=O)C1=NCCS1 TS05468 [0,0,0,1,0,0|1,1,0]=3 492 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,0,0,1,0,0|1,0,1]=3 493 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,0,0,1,0,0|1,0,1]=3 494 B8R1.7 CC(=O)N1CCCC1 TS32010 [0,0,0,1,0,0|2,0,0]=3 495 B8R1.7 CC(C)C1=CCCC1 TS31848 [0,0,0,1,0,0|2,0,1]=4 496 B8R1.18 CC1CC(=C)C(=O)O1 TS31903 [0,0,0,1,0,0|2,0,0]=3 497 B8R1.18 CC1CC(=O)N(N1)C TS32083 [0,0,0,1,0,0|2,0,0]=3 498 B8R1.18 CC1CC(C(=O)O1)Br TS47655 [0,0,0,1,0,0|2,0,1]=4 499 B8R1.18 CN1CC(CC1=O)N TS88582 [0,0,0,1,0,0|3,0,0]=4 500 B8R1.19 CC1(CCCC1=O)C TS31947 [0,0,0,1,0,0|1,0,1]=3 501 B8R1.19 CC1(CCOC1=O)Br TS47654 [0,0,0,1,0,0|2,0,1]=4 502 B8R1.19 CC1(CCOC1=O)C TS55730 [0,0,0,1,0,0|2,0,1]=4 503 B8R1.23 CC(=O)N1CC(C1)N TS91765 [0,0,0,1,0,0|3,0,0]=4 504 B8R1.23 CC(=O)N1CC(C1)O TS85600 [0,0,0,1,0,0|3,0,0]=4 505 B8R1.23 CC1CC(C1)C(=O)O TS88279 [0,0,0,1,0,0|2,0,1]=4 506 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O TS89006 [0,0,0,1,0,0|2,0,1]=4 507 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O TS89005 [0,0,0,1,0,0|2,0,1]=4 508 B8R1.37 CCOC(=O)C1CC1 TS32071 [0,0,0,1,0,0|2,0,1]=4 509 B8R1.37 CCOC(=O)C1CO1 TS01910 [0,0,0,1,0,0|1,0,2]=4 510 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [0,0,0,1,0,0|1,0,2]=4 511 B8R1.54 C1CC1C(C(=O)O)N TS04522 [0,0,0,1,0,0|2,0,1]=4 512 B8R1.54 C1CC1[C@@H](C(=O)O)N TS01520 [0,0,0,1,0,0|2,0,1]=4 513 B8R1.54 C1CC1[C@H](C(=O)O)N TS04532 [0,0,0,1,0,0|2,0,1]=4 514 B8R1.54 CN(C)C(=O)C1CC1 TS32014 [0,0,0,1,0,0|2,0,0]=3 515 B8R1.78 C1CC(C1)(C(=O)O)N TS91061 [0,0,0,1,0,0|2,0,1]=4 516 B8R1.78 C1CC(C1)(C(=O)O)N TS93561 [0,0,0,1,0,0|2,0,1]=4 517 B8R1.78 C1CC(C1)(C(=O)O)N TS93562 [0,0,0,1,0,0|2,0,1]=4 518 B8R1.78 CC(=O)C1(COC1)C TS87928 [0,0,0,1,0,0|2,0,1]=4 519 B8R1.78 CC1(CCC1)C(=O)O TS85793 [0,0,0,1,0,0|2,0,1]=4 520 B8R0.5 C(C#N)C(=O)NC(=O)N TS05244 [0,0,0,0,0,1|2,0,1]=4 521 B8R0.5 C(CCl)C(=O)NC(=O)N TS09962 [0,0,0,0,0,1|2,0,0]=3 522 B8R0.5 CC(C)OC(=O)CCS TS05774 [0,0,0,0,0,1|2,0,1]=4 523 B8R0.5 CC(COC)OC(=O)C TS05714 [0,0,0,0,0,1|2,0,1]=4 524 B8R0.5 CCCC(=CC(=O)O)C TS36312 [0,0,0,0,0,1|2,0,0]=3 525 B8R0.5 CCCC(=O)CC(C)C TS05373 [0,0,0,0,0,1|1,0,1]=3 526 B8R0.5 CCCC(=O)OC(C)C TS05550 [0,0,0,0,0,1|1,0,1]=3 527 B8R0.5 CCCC(C)CC(=C)C TS36185 [0,0,0,0,0,1|2,0,1]=4 528 B8R0.5 CCCC(C)CC(=O)C TS05394 [0,0,0,0,0,1|1,0,1]=3 529 B8R0.5 CCCC(C)CC(=O)O TS05545 [0,0,0,0,0,1|2,0,1]=4 530 B8R0.5 CCCC(C)OC(=O)C TS05542 [0,0,0,0,0,1|1,0,1]=3 531 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [0,0,0,0,0,1|2,0,1]=4 532 B8R0.5 CCNC(=CC(=O)C)C TS05283 [0,0,0,0,0,1|2,0,0]=3 533 B8R0.5 CCNC(=O)CC(=O)C TS05458 [0,0,0,0,0,1|1,0,0]=2 534 B8R0.5 CCOC(=O)C=C(C)C TS32816 [0,0,0,0,0,1|2,0,0]=3 535 B8R0.5 CCOC(=O)CC(=O)C TS41089 [0,0,0,0,0,1|1,0,0]=2 536 B8R0.5 CCOC(=O)CC(=O)C TS59779 [0,0,0,0,0,1|1,0,0]=2 537 B8R0.5 CCOC(=O)CC(=O)N TS01462 [0,0,0,0,0,1|2,0,0]=3 538 B8R0.5 CCOC(=O)CC(=O)O TS39886 [0,0,0,0,0,1|2,0,0]=3 539 B8R0.5 CCOC(=O)CC(=S)N TS07360 [0,0,0,0,0,1|2,1,0]=4 540 B8R0.5 CCOC(=O)CC(C)Br TS51949 [0,0,0,0,0,1|2,0,1]=4 541 B8R0.5 CCOC(=O)CC(C)C TS05548 [0,0,0,0,0,1|2,0,1]=4 542 B8R0.5 CCOC(=O)CC(C)N TS32698 [0,0,0,0,0,1|2,0,1]=4 543 B8R0.5 CCOC(=O)CC(C)O TS36658 [0,0,0,0,0,1|1,0,2]=4 544 B8R0.5 CCOC(=O)CN(C)C TS05660 [0,0,0,0,0,1|3,0,0]=4 545 B8R0.5 CCOC(=O)C[C@@H](C)O TS05718 [0,0,0,0,0,1|1,0,2]=4 546 B8R0.5 CCOC(=O)C[N+](=O)[O-] TS01470 [0,0,0,0,0,1|3,0,0]=4 547 B8R0.5 CCOC(=O)C[S+](C)C TS52804 [0,0,0,0,0,1|3,0,0]=4 548 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,0,0,0,0,1|1,0,0]=2 549 B8R0.5 CCOC(=O)NC(=O)N TS36645 [0,0,0,0,0,1|2,0,0]=3 550 B8R0.5 CCOC(=O)OC(C)Cl TS10246 [0,0,0,0,0,1|2,0,1]=4 551 B5R0.1 C(CBr)C(=O)N TS10109 [2,0,0,0,0,0|2,0,0]=4 552 B5R0.1 C(CBr)C(=O)O TS09493 [2,0,0,0,0,0|1,0,1]=4 553 B5R0.1 C(CCl)C(=O)Cl TS00146 [2,0,0,0,0,0|2,0,0]=4 554 B5R0.1 C(CCl)C(=O)N TS04118 [2,0,0,0,0,0|2,0,0]=4 555 B5R0.1 C(CCl)C(=O)O TS04159 [2,0,0,0,0,0|1,0,1]=4 556 B5R0.1 C(CI)C(=O)O TS18918 [2,0,0,0,0,0|1,0,1]=4 557 B5R0.1 C(CN)C(=O)N TS36032 [2,0,0,0,0,0|2,0,0]=4 558 B5R0.1 C(CN)C(=O)O TS02667 [2,0,0,0,0,0|1,0,1]=4 559 B5R0.1 C(CO)C(=O)O TS16373 [2,0,0,0,0,0|1,0,1]=4 560 B5R0.1 C(CS)C(=O)O TS04091 [2,0,0,0,0,0|1,0,1]=4 561 B5R0.1 C=C(CCO)Br TS40970 [2,0,0,0,0,0|2,0,0]=4 562 B5R0.1 CC(=C)CCO TS71766 [2,0,0,0,0,0|2,0,0]=4 563 B5R0.1 CC(=CCBr)C TS00408 [2,0,0,0,0,0|2,0,0]=4 564 B5R0.1 CC(=CCCl)C TS00047 [2,0,0,0,0,0|2,0,0]=4 565 B5R0.1 CC(=CCN)C TS04881 [2,0,0,0,0,0|2,0,0]=4 566 B5R0.1 CC(=CCN)C TS63606 [2,0,0,0,0,0|2,0,0]=4 567 B5R0.1 CC(=CCN)C TS70656 [2,0,0,0,0,0|2,0,0]=4 568 B5R0.1 CC(=CCO)C TS71763 [2,0,0,0,0,0|2,0,0]=4 569 B5R0.1 CC(=CCO)Cl TS31734 [2,0,0,0,0,0|2,0,0]=4 570 B5R0.1 CC(=CCS)C TS03985 [2,0,0,0,0,0|2,0,0]=4 571 B5R0.1 CC(=O)C=NO TS03554 [2,0,0,0,0,0|2,0,0]=4 572 B5R0.1 CC(=O)CC#N TS04063 [2,0,0,0,0,0|1,0,1]=4 573 B5R0.1 CC(=O)CCO TS39752 [2,0,0,0,0,0|1,0,0]=3 574 B5R0.1 CC(=O)CCS TS31678 [2,0,0,0,0,0|1,0,0]=3 575 B5R0.1 CC(=O)COC TS03573 [2,0,0,0,0,0|1,0,0]=3 576 B5R0.1 CC(=O)CSC TS31685 [2,0,0,0,0,0|1,0,0]=3 577 B5R0.1 CC(=O)NCO TS08902 [2,0,0,0,0,0|2,0,0]=4 578 B5R0.1 CC(=O)NSC TS31708 [2,0,0,0,0,0|2,0,0]=4 579 B5R0.1 CC(=O)OCBr TS16534 [2,0,0,0,0,0|2,0,0]=4 580 B5R0.1 CC(=O)OCCl TS55809 [2,0,0,0,0,0|2,0,0]=4 581 B5R0.1 CC(=O)O[Hg]C TS30965 [2,0,0,0,0,0|2,0,0]=4 582 B5R0.1 CC=CC(=O)C TS03499 [2,0,0,0,0,0|0,0,1]=3 583 B5R0.1 CC=CC(=O)Cl TS04051 [2,0,0,0,0,0|1,0,1]=4 584 B5R0.1 CC=CC(=O)N TS03508 [2,0,0,0,0,0|1,0,1]=4 585 B5R0.1 CC=CC(=O)O TS03526 [2,0,0,0,0,0|1,0,1]=4 586 B5R0.1 CC=CC(=O)[O-] TS05036 [2,0,0,0,0,0|1,0,1]=4 587 B5R0.1 CCC=C(C)C TS71718 [2,0,0,0,0,0|1,0,0]=3 588 B5R0.1 CCC=C(F)F TS03652 [2,0,0,0,0,0|2,0,0]=4 589 B5R0.1 CCCC(=C)C TS71722 [2,0,0,0,0,0|1,0,0]=3 590 B5R0.1 CCCC(=N)N TS03542 [2,0,0,0,0,0|2,0,0]=4 591 B5R0.1 CCCC(=N)N TS04952 [2,0,0,0,0,0|2,0,0]=4 592 B5R0.1 CCCC(=O)Br TS40964 [2,0,0,0,0,0|1,0,0]=3 593 B5R0.1 CCCC(=O)C TS71754 [2,0,0,0,0,0|0,0,0]=2 594 B5R0.1 CCCC(=O)Cl TS16539 [2,0,0,0,0,0|1,0,0]=3 595 B5R0.1 CCCC(=O)N TS03561 [2,0,0,0,0,0|1,0,0]=3 596 B5R0.1 CCCC(=O)O TS03572 [2,0,0,0,0,0|0,0,1]=3 597 B5R0.1 CCCC(=O)O TS63934 [2,0,0,0,0,0|0,0,1]=3 598 B5R0.1 CCCC(=O)[O-] TS04184 [2,0,0,0,0,0|0,0,1]=3 599 B5R0.1 CCCC(=O)[O-] TS04232 [2,0,0,0,0,0|0,0,1]=3 600 B5R0.1 CCCC(=O)[O-] TS44539 [2,0,0,0,0,0|0,0,1]=3 601 B5R0.1 CCCC(=S)Cl TS37257 [2,0,0,0,0,0|1,1,0]=4 602 B5R0.1 CCCC(=S)O TS04825 [2,0,0,0,0,0|0,1,1]=4 603 B5R0.1 CCCC(C)Br TS09989 [2,0,0,0,0,0|1,0,1]=4 604 B5R0.1 CCCC(C)Cl TS31741 [2,0,0,0,0,0|1,0,1]=4 605 B5R0.1 CCCC(C)I TS18550 [2,0,0,0,0,0|1,0,1]=4 606 B5R0.1 CCCC(C)O TS03596 [2,0,0,0,0,0|0,0,2]=4 607 B5R0.1 CCCC(C)S TS31692 [2,0,0,0,0,0|0,1,1]=4 608 B5R0.1 CCCC(C)[Zn+] TS49166 [2,0,0,0,0,0|1,0,1]=4 609 B5R0.1 CCCN(C)C TS71775 [2,0,0,0,0,0|2,0,0]=4 610 B5R0.1 CCC[C@@H](C)O TS71801 [2,0,0,0,0,0|0,0,2]=4 611 B5R0.1 CCC[C@H](C)O TS71800 [2,0,0,0,0,0|0,0,2]=4 612 B5R0.1 CCC[N+](=O)[O-] TS71821 [2,0,0,0,0,0|1,0,1]=4 613 B5R0.1 CCNC(=O)C TS03563 [2,0,0,0,0,0|1,0,0]=3 614 B5R0.1 CCNC(=O)N TS03591 [2,0,0,0,0,0|2,0,0]=4 615 B5R0.1 CCOC(=C)C TS71753 [2,0,0,0,0,0|2,0,0]=4 616 B5R0.1 CCOC(=O)C TS03585 [2,0,0,0,0,0|1,0,0]=3 617 B5R0.1 CCOC(=O)C TS03625 [2,0,0,0,0,0|1,0,0]=3 618 B5R0.1 CCOC(=O)C TS71827 [2,0,0,0,0,0|1,0,0]=3 619 B5R0.1 CCOC(=O)Cl TS56143 [2,0,0,0,0,0|2,0,0]=4 620 B5R0.1 CCOC(=O)N TS59479 [2,0,0,0,0,0|2,0,0]=4 621 B5R0.1 CCOC(=S)C TS31684 [2,0,0,0,0,0|1,1,0]=4 622 B5R0.1 CCSC(=S)C TS32440 [2,0,0,0,0,0|1,1,0]=4 623 B5R0.1 CNCC(=O)N TS36031 [2,0,0,0,0,0|2,0,0]=4 624 B5R0.1 CNCC(=O)O TS34582 [2,0,0,0,0,0|1,0,1]=4 625 B5R0.1 CNCC(=O)O TS36080 [2,0,0,0,0,0|1,0,1]=4 626 B5R0.1 CNCC(=O)[O-] TS04231 [2,0,0,0,0,0|1,0,1]=4 627 B5R0.1 COCC(=O)O TS03620 [2,0,0,0,0,0|1,0,1]=4 628 B5R0.1 CSCC(=O)N TS93570 [2,0,0,0,0,0|2,0,0]=4 629 B5R0.1 CSCS(=O)C TS05065 [2,0,0,0,0,0|2,0,0]=4 630 B5R0.2 CC=CC=CC TS71681 [2,0,0,0,0,0|0,0,2]=4 631 B5R0.2 CC=CC=CC TS71684 [2,0,0,0,0,0|0,0,2]=4 632 B5R0.2 CC=CCCO TS71749 [2,0,0,0,0,0|1,0,0]=3 633 B5R0.2 CC=CC[Mg]Cl TS32134 [2,0,0,0,0,0|2,0,0]=4 634 B5R0.2 CCC=CC=C TS03467 [2,0,0,0,0,0|0,0,2]=4 635 B5R0.2 CCC=CC=O TS03498 [2,0,0,0,0,0|0,0,1]=3 636 B5R0.2 CCCC#CC TS71682 [2,0,0,0,0,0|0,0,2]=4 637 B5R0.2 CCCC=NO TS03560 [2,0,0,0,0,0|1,0,1]=4 638 B5R0.2 CCCCC=C TS71713 [2,0,0,0,0,0|0,0,2]=4 639 B5R0.2 CCCCC=O TS71764 [2,0,0,0,0,0|0,0,1]=3 640 B5R0.2 CCCCNC TS71774 [2,0,0,0,0,0|1,0,1]=4 641 B5R0.2 CCCCSC TS31691 [2,0,0,0,0,0|1,0,1]=4 642 B5R0.2 CCCC[Sn]=O TS17583 [2,0,0,0,0,0|1,0,1]=4 643 B5R0.2 CCCN=C=O TS03505 [2,0,0,0,0,0|1,0,1]=4 644 B5R0.2 CCCNCC TS71783 [2,0,0,0,0,0|1,0,1]=4 645 B5R0.2 CCCOC=C TS29507 [2,0,0,0,0,0|1,0,1]=4 646 B5R0.2 CCCOC=O TS03584 [2,0,0,0,0,0|1,0,0]=3 647 B5R0.2 CCCOCC TS71799 [2,0,0,0,0,0|1,0,1]=4 648 B5R0.2 CCCON=O TS71824 [2,0,0,0,0,0|2,0,0]=4 649 B5R0.2 CCCSCC TS31700 [2,0,0,0,0,0|1,0,1]=4 650 B5R0.2 CCCSSC TS04934 [2,0,0,0,0,0|2,0,0]=4 651 B5R0.2 CCOC=CBr TS40963 [2,0,0,0,0,0|2,0,0]=4 652 B5R0.2 CCOC=CC TS71751 [2,0,0,0,0,0|1,0,0]=3 653 B5R0.2 COC=CC=O TS71739 [2,0,0,0,0,0|1,0,1]=4 654 B5R0.3 C=CC(=O)CBr TS00417 [2,0,0,0,0,0|1,0,1]=4 655 B5R0.3 CC=C(C)C=O TS03488 [2,0,0,0,0,0|1,0,1]=4 656 B5R0.3 CC=C(C=O)Cl TS04052 [2,0,0,0,0,0|1,0,1]=4 657 B5R0.3 CC=C(CO)Br TS40966 [2,0,0,0,0,0|2,0,0]=4 658 B5R0.3 CCC(=C)C=C TS71686 [2,0,0,0,0,0|1,0,1]=4 659 B5R0.3 CCC(=C)CC TS71714 [2,0,0,0,0,0|1,0,1]=4 660 B5R0.3 CCC(=O)C=C TS03496 [2,0,0,0,0,0|0,0,1]=3 661 B5R0.3 CCC(=O)C=O TS03524 [2,0,0,0,0,0|0,0,0]=2 662 B5R0.3 CCC(=O)CBr TS00020 [2,0,0,0,0,0|1,0,1]=4 663 B5R0.3 CCC(=O)CC TS00240 [2,0,0,0,0,0|0,0,1]=3 664 B5R0.3 CCC(=O)CCl TS31736 [2,0,0,0,0,0|1,0,1]=4 665 B5R0.3 CCC(=O)CO TS05538 [2,0,0,0,0,0|0,0,2]=4 666 B5R0.3 CCC(=O)NC TS03562 [2,0,0,0,0,0|1,0,0]=3 667 B5R0.3 CCC(=O)NN TS03589 [2,0,0,0,0,0|2,0,0]=4 668 B5R0.3 CCC(=O)OC TS03587 [2,0,0,0,0,0|1,0,0]=3 669 B5R0.3 CCC(=S)OC TS31680 [2,0,0,0,0,0|1,1,0]=4 670 B5R0.3 CCC(C)C=O TS03536 [2,0,0,0,0,0|1,0,1]=4 671 B5R0.3 CCS(=O)CC TS04104 [2,0,0,0,0,0|1,0,1]=4 672 B5R0.3 CC[Sn](=O)CC TS17584 [2,0,0,0,0,0|1,0,1]=4 673 B5R0.3 CNC(=O)CCl TS04119 [2,0,0,0,0,0|2,0,0]=4 674 B5R0.3 CNC(=O)CN TS36033 [2,0,0,0,0,0|2,0,0]=4 675 B5R0.3 CNC(=O)NC TS08682 [2,0,0,0,0,0|2,0,0]=4 676 B5R0.3 COC(=O)C=C TS03529 [2,0,0,0,0,0|1,0,1]=4 677 B5R0.3 COC(=O)C=O TS65230 [2,0,0,0,0,0|1,0,0]=3 678 B5R0.3 COC(=O)CBr TS08895 [2,0,0,0,0,0|2,0,0]=4 679 B5R0.3 COC(=O)CCl TS39826 [2,0,0,0,0,0|2,0,0]=4 680 B5R0.3 COC(=O)CF TS65235 [2,0,0,0,0,0|2,0,0]=4 681 B5R0.3 COC(=O)CN TS36079 [2,0,0,0,0,0|2,0,0]=4 682 B5R0.3 COC(=O)CN TS93910 [2,0,0,0,0,0|2,0,0]=4 683 B5R0.3 COC(=O)CO TS03617 [2,0,0,0,0,0|2,0,0]=4 684 B5R0.3 COC(=O)CS TS39888 [2,0,0,0,0,0|2,0,0]=4 685 B5R0.3 COC(=O)OC TS33240 [2,0,0,0,0,0|2,0,0]=4 686 B5R0.3 CSC(=O)SC TS04928 [2,0,0,0,0,0|2,0,0]=4 687 B5R0.5 C(=O)(C(=O)Cl)Cl TS39922 [2,0,0,0,0,0|2,0,0]=4 688 B5R0.5 C(=O)(C(=O)F)F TS71886 [2,0,0,0,0,0|2,0,0]=4 689 B5R0.5 C(=O)(C(=O)N)N TS03568 [2,0,0,0,0,0|2,0,0]=4 690 B5R0.5 C(=O)(C(=O)O)N TS01624 [2,0,0,0,0,0|2,0,0]=4 691 B5R0.5 C(=O)(C(=O)O)O TS03614 [2,0,0,0,0,0|2,0,0]=4 692 B5R0.5 C(=O)(C(=O)O)O TS07631 [2,0,0,0,0,0|2,0,0]=4 693 B5R0.5 C(=O)(C(=O)O)O TS11826 [2,0,0,0,0,0|2,0,0]=4 694 B5R0.5 C(=O)(C(=O)O)O TS40816 [2,0,0,0,0,0|2,0,0]=4 695 B5R0.5 C(=O)(C(=O)O)O TS63351 [2,0,0,0,0,0|2,0,0]=4 696 B5R0.5 C(=O)(C(=O)[O-])N TS04229 [2,0,0,0,0,0|2,0,0]=4 697 B5R0.5 C(=O)(C(=O)[O-])N TS36215 [2,0,0,0,0,0|2,0,0]=4 698 B5R0.5 C(=O)(C(=O)[O-])O TS05512 [2,0,0,0,0,0|2,0,0]=4 699 B5R0.5 C(=O)(C(=O)[O-])O TS36266 [2,0,0,0,0,0|2,0,0]=4 700 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05006 [2,0,0,0,0,0|2,0,0]=4 701 B5R0.5 C(=O)(C(=O)[O-])[O-] TS05857 [2,0,0,0,0,0|2,0,0]=4 702 B5R0.5 C(=O)(C(=O)[O-])[O-] TS06648 [2,0,0,0,0,0|2,0,0]=4 703 B5R0.5 C(=O)(C(=O)[O-])[O-] TS13762 [2,0,0,0,0,0|2,0,0]=4 704 B5R0.5 C(=O)(C(=O)[O-])[O-] TS14333 [2,0,0,0,0,0|2,0,0]=4 705 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15086 [2,0,0,0,0,0|2,0,0]=4 706 B5R0.5 C(=O)(C(=O)[O-])[O-] TS15286 [2,0,0,0,0,0|2,0,0]=4 707 B5R0.5 C(=O)(C(=O)[O-])[O-] TS17741 [2,0,0,0,0,0|2,0,0]=4 708 B5R0.5 C(=O)(C(=O)[O-])[O-] TS20296 [2,0,0,0,0,0|2,0,0]=4 709 B5R0.5 C(=O)(C(=O)[O-])[O-] TS24300 [2,0,0,0,0,0|2,0,0]=4 710 B5R0.5 C(=O)(C(=O)[O-])[O-] TS31568 [2,0,0,0,0,0|2,0,0]=4 711 B5R0.5 C(=O)(C(=O)[O-])[O-] TS35772 [2,0,0,0,0,0|2,0,0]=4 712 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72048 [2,0,0,0,0,0|2,0,0]=4 713 B5R0.5 C(=O)(C(=O)[O-])[O-] TS72503 [2,0,0,0,0,0|2,0,0]=4 714 B5R0.5 C(=O)(C(=O)[O-])[O-] TS73371 [2,0,0,0,0,0|2,0,0]=4 715 B5R0.5 C(=O)(C(=O)[O-])[O-] TS74979 [2,0,0,0,0,0|2,0,0]=4 716 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75113 [2,0,0,0,0,0|2,0,0]=4 717 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75293 [2,0,0,0,0,0|2,0,0]=4 718 B5R0.5 C(=O)(C(=O)[O-])[O-] TS75342 [2,0,0,0,0,0|2,0,0]=4 719 B5R0.5 C(=O)(C(=O)[O-])[O-] TS78240 [2,0,0,0,0,0|2,0,0]=4 720 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83830 [2,0,0,0,0,0|2,0,0]=4 721 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83860 [2,0,0,0,0,0|2,0,0]=4 722 B5R0.5 C(=O)(C(=O)[O-])[O-] TS83891 [2,0,0,0,0,0|2,0,0]=4 723 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84091 [2,0,0,0,0,0|2,0,0]=4 724 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84176 [2,0,0,0,0,0|2,0,0]=4 725 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84599 [2,0,0,0,0,0|2,0,0]=4 726 B5R0.5 C(=O)(C(=O)[O-])[O-] TS84655 [2,0,0,0,0,0|2,0,0]=4 727 B5R0.5 C(=O)(C(=O)[O-])[O-] TS94729 [2,0,0,0,0,0|2,0,0]=4 728 B5R0.5 CC(=C(C)Br)C TS07531 [2,0,0,0,0,0|2,0,0]=4 729 B5R0.5 CC(=C(C)C)C TS71721 [2,0,0,0,0,0|2,0,0]=4 730 B5R0.5 CC(=C(C)[NH3+])C TS04005 [2,0,0,0,0,0|2,0,0]=4 731 B5R0.5 CC(=C)C(=C)C TS71685 [2,0,0,0,0,0|2,0,0]=4 732 B5R0.5 CC(=C)C(=O)C TS03485 [2,0,0,0,0,0|1,0,0]=3 733 B5R0.5 CC(=C)C(=O)Cl TS56226 [2,0,0,0,0,0|2,0,0]=4 734 B5R0.5 CC(=C)C(=O)F TS03570 [2,0,0,0,0,0|2,0,0]=4 735 B5R0.5 CC(=C)C(=O)N TS71737 [2,0,0,0,0,0|2,0,0]=4 736 B5R0.5 CC(=C)C(=O)O TS56224 [2,0,0,0,0,0|2,0,0]=4 737 B5R0.5 CC(=C)C(=O)[O-] TS03649 [2,0,0,0,0,0|2,0,0]=4 738 B5R0.5 CC(=C)C(=O)[O-] TS04134 [2,0,0,0,0,0|2,0,0]=4 739 B5R0.5 CC(=C)C(=O)[O-] TS17588 [2,0,0,0,0,0|2,0,0]=4 740 B5R0.5 CC(=C)C(=O)[O-] TS17954 [2,0,0,0,0,0|2,0,0]=4 741 B5R0.5 CC(=C)C(=O)[O-] TS20934 [2,0,0,0,0,0|2,0,0]=4 742 B5R0.5 CC(=C)C(=O)[O-] TS25799 [2,0,0,0,0,0|2,0,0]=4 743 B5R0.5 CC(=C)C(=O)[O-] TS35997 [2,0,0,0,0,0|2,0,0]=4 744 B5R0.5 CC(=C)C(=O)[O-] TS45223 [2,0,0,0,0,0|2,0,0]=4 745 B5R0.5 CC(=C)C(=O)[O-] TS60851 [2,0,0,0,0,0|2,0,0]=4 746 B5R0.5 CC(=C)C(=O)[O-] TS67081 [2,0,0,0,0,0|2,0,0]=4 747 B5R0.5 CC(=C)C(=O)[O-] TS68528 [2,0,0,0,0,0|2,0,0]=4 748 B5R0.5 CC(=C)C(=O)[O-] TS70135 [2,0,0,0,0,0|2,0,0]=4 749 B5R0.5 CC(=C)C(=O)[O-] TS78671 [2,0,0,0,0,0|2,0,0]=4 750 B5R0.5 CC(=O)C(=O)C TS03530 [2,0,0,0,0,0|0,0,0]=2 751 B5R0.5 CC(=O)C(=O)O TS71795 [2,0,0,0,0,0|1,0,0]=3 752 B5R0.5 CC(=O)C(=O)[O-] TS04176 [2,0,0,0,0,0|1,0,0]=3 753 B5R0.5 CC(=O)C(=O)[O-] TS36114 [2,0,0,0,0,0|1,0,0]=3 754 B5R0.5 CC(=O)C(=O)[O-] TS44476 [2,0,0,0,0,0|1,0,0]=3 755 B5R0.5 CC(=O)C(=O)[O-] TS71885 [2,0,0,0,0,0|1,0,0]=3 756 B5R0.5 CC(=O)N(C)C TS03557 [2,0,0,0,0,0|2,0,0]=4 757 B5R0.5 CC(C(=O)C)Br TS40972 [2,0,0,0,0,0|1,0,1]=4 758 B5R0.5 CC(C(=O)C)Cl TS31738 [2,0,0,0,0,0|1,0,1]=4 759 B5R0.5 CC(C(=O)C)F TS71828 [2,0,0,0,0,0|1,0,1]=4 760 B5R0.5 CC(C(=O)C)O TS03581 [2,0,0,0,0,0|0,0,2]=4 761 B5R0.5 CC(C(=O)C)S TS60015 [2,0,0,0,0,0|0,1,1]=4 762 B5R0.5 CC(C)C(=O)C TS39716 [2,0,0,0,0,0|1,0,1]=4 763 B7R0.2 CC(=O)CC(=O)NC TS04520 [1,1,0,0,0,0|1,0,1]=4 764 B7R0.2 CC(=O)CC(=O)OC TS32187 [1,1,0,0,0,0|1,0,1]=4 765 B7R0.2 CC(C)CC(=O)OC TS04588 [1,1,0,0,0,0|1,0,0]=3 766 B7R0.2 CC(C)CC(=O)SC TS05775 [1,1,0,0,0,0|1,0,0]=3 767 B7R0.2 CC(C)NC(=O)C=C TS32016 [1,1,0,0,0,0|1,0,1]=4 768 B7R0.2 CC(C)OC(=O)C=C TS32061 [1,1,0,0,0,0|1,0,1]=4 769 B7R0.2 CC(CC(=O)OC)Br TS65942 [1,1,0,0,0,0|1,0,0]=3 770 B7R0.2 CCC(=C)CC(C)C TS04352 [1,1,0,0,0,0|1,0,1]=4 771 B7R0.2 CCC(=O)CC(=O)C TS00653 [1,1,0,0,0,0|0,0,2]=4 772 B7R0.2 CCC(=O)CC(C)C TS32113 [1,1,0,0,0,0|0,0,1]=3 773 B7R0.2 CN(C)CC(=O)OC TS04665 [1,1,0,0,0,0|2,0,0]=4 774 B7R0.2 C[C@@H](CC(=O)OC)O TS77156 [1,1,0,0,0,0|1,0,0]=3 775 B7R0.2 C[C@H](CC(=O)OC)O TS01535 [1,1,0,0,0,0|1,0,0]=3 776 B7R0.3 C(CC(=O)NN)CO TS32340 [1,1,0,0,0,0|2,0,0]=4 777 B7R0.3 C=CC(=O)NCCN TS94605 [1,1,0,0,0,0|1,0,1]=4 778 B7R0.3 C=CC(=O)OCCBr TS47659 [1,1,0,0,0,0|1,0,1]=4 779 B7R0.3 C=CC(=O)OCCCl TS05938 [1,1,0,0,0,0|1,0,1]=4 780 B7R0.3 C=CC(=O)OCCO TS56178 [1,1,0,0,0,0|1,0,1]=4 781 B7R0.3 CCC#CC(=O)OC TS31922 [1,1,0,0,0,0|1,0,1]=4 782 B7R0.3 CCC(=O)NCCO TS32284 [1,1,0,0,0,0|1,0,1]=4 783 B7R0.3 CCC=CC(=O)OC TS56262 [1,1,0,0,0,0|1,0,1]=4 784 B7R0.3 CCCCC(=C)CC TS04366 [1,1,0,0,0,0|1,0,1]=4 785 B7R0.3 CCCCC(=CC)C TS04336 [1,1,0,0,0,0|1,0,0]=3 786 B7R0.3 CCCCC(=O)CC TS04462 [1,1,0,0,0,0|0,0,1]=3 787 B7R0.3 CCCCC(=O)NC TS32169 [1,1,0,0,0,0|1,0,0]=3 788 B7R0.3 CCCCC(=O)NN TS04606 [1,1,0,0,0,0|2,0,0]=4 789 B7R0.3 CCCCC(=O)OC TS32226 [1,1,0,0,0,0|1,0,0]=3 790 B7R0.3 CCCOC(=O)C=C TS04429 [1,1,0,0,0,0|0,0,1]=3 791 B7R0.3 CCCOC(=O)CCl TS06137 [1,1,0,0,0,0|1,0,1]=4 792 B7R0.3 CCCOC(=O)CN TS41315 [1,1,0,0,0,0|1,0,1]=4 793 B7R0.3 CCCOC(=O)OC TS32321 [1,1,0,0,0,0|1,0,0]=3 794 B7R0.3 CCCSC(=O)CC TS05773 [1,1,0,0,0,0|0,0,1]=3 795 B7R0.3 CCOC=C(C)C=O TS04427 [1,1,0,0,0,0|1,0,1]=4 796 B7R0.3 COC(=O)CCC#N TS02730 [1,1,0,0,0,0|1,0,1]=4 797 B7R0.3 COC(=O)CCC=O TS02246 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.3 COC(=O)CCCBr TS09599 [1,1,0,0,0,0|1,0,0]=3 799 B7R0.3 COC(=O)CCCCl TS06131 [1,1,0,0,0,0|1,0,0]=3 800 B7R0.3 COC(=O)CCCI TS52575 [1,1,0,0,0,0|1,0,0]=3 801 B7R0.3 COC(=O)CCCN TS41316 [1,1,0,0,0,0|1,0,0]=3 802 B7R0.3 COC(=O)CCSC TS05919 [1,1,0,0,0,0|1,0,0]=3 803 B7R0.3 COCCC(=O)NN TS32330 [1,1,0,0,0,0|2,0,0]=4 804 B7R0.3 COCCC(=O)OC TS32322 [1,1,0,0,0,0|1,0,0]=3 805 B7R0.7 C(CCl)C(=O)CCCl TS46816 [1,1,0,0,0,0|1,0,1]=4 806 B7R0.7 C(CO)C(=O)CCO TS04717 [1,1,0,0,0,0|1,0,1]=4 807 B7R0.7 CCCC(=CCC)C TS31954 [1,1,0,0,0,0|1,0,0]=3 808 B7R0.7 CCCC(=O)CCC TS32100 [1,1,0,0,0,0|0,0,1]=3 809 B7R0.7 CCCC(=O)OC=C TS04453 [1,1,0,0,0,0|0,0,1]=3 810 B7R0.7 CCCC(=O)OCC TS32219 [1,1,0,0,0,0|0,0,1]=3 811 B7R0.7 CCCC(=O)OCCl TS55810 [1,1,0,0,0,0|1,0,0]=3 812 B7R0.7 CCCC(=S)OCC TS05779 [1,1,0,0,0,0|0,1,1]=4 813 B7R0.7 CCCC(=S)OCC TS07488 [1,1,0,0,0,0|0,1,1]=4 814 B7R0.7 CCCC(C=CC)O TS04465 [1,1,0,0,0,0|0,0,2]=4 815 B7R0.7 CCCS(=O)CCC TS36875 [1,1,0,0,0,0|1,0,1]=4 816 B7R0.7 CCNC(=O)NCC TS04609 [1,1,0,0,0,0|1,0,1]=4 817 B7R0.7 CCNC(=O)OCC TS04671 [1,1,0,0,0,0|1,0,1]=4 818 B7R0.7 CCOC(=O)C#CC TS08727 [1,1,0,0,0,0|1,0,1]=4 819 B7R0.7 CCOC(=O)C=CC TS04436 [1,1,0,0,0,0|1,0,0]=3 820 B7R0.7 CCOC(=O)C=CI TS52258 [1,1,0,0,0,0|1,0,1]=4 821 B7R0.7 CCOC(=O)C=[N+]=[N-] TS77133 [1,1,0,0,0,0|2,0,0]=4 822 B7R0.7 CCOC(=O)CC=C TS04444 [1,1,0,0,0,0|1,0,1]=4 823 B7R0.7 CCOC(=O)CCBr TS08511 [1,1,0,0,0,0|1,0,1]=4 824 B7R0.7 CCOC(=O)CCCl TS66003 [1,1,0,0,0,0|1,0,1]=4 825 B7R0.7 CCOC(=O)CCI TS56139 [1,1,0,0,0,0|1,0,1]=4 826 B7R0.7 CCOC(=O)CCN TS01886 [1,1,0,0,0,0|1,0,1]=4 827 B7R0.7 CCOC(=O)CCN TS04667 [1,1,0,0,0,0|1,0,1]=4 828 B7R0.7 CCOC(=O)CCS TS05923 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [1,1,0,0,0,0|1,0,1]=4 830 B7R0.7 CCOC(=O)CNC TS01479 [1,1,0,0,0,0|1,0,1]=4 831 B7R0.7 CCOC(=O)COC TS32327 [1,1,0,0,0,0|1,0,1]=4 832 B7R0.7 CCOC(=O)CSC TS05917 [1,1,0,0,0,0|1,0,1]=4 833 B7R0.7 CCOC(=O)N=C=O TS08726 [1,1,0,0,0,0|1,0,1]=4 834 B7R0.7 CCOC(=O)NOC TS32378 [1,1,0,0,0,0|2,0,0]=4 835 B7R0.7 CCOC(=O)OCC TS32315 [1,1,0,0,0,0|1,0,1]=4 836 B7R0.7 CCOC(=O)OCCl TS37245 [1,1,0,0,0,0|2,0,0]=4 837 B7R0.7 CCSC(=O)SCC TS40933 [1,1,0,0,0,0|1,0,1]=4 838 B7R0.10 CC(C(=O)OC)OC TS32317 [1,1,0,0,0,0|2,0,0]=4 839 B7R0.10 CC(C(=O)OC)SC TS05922 [1,1,0,0,0,0|2,0,0]=4 840 B7R0.10 CCC(C(=O)CC)O TS32221 [1,1,0,0,0,0|0,0,1]=3 841 B7R0.10 CCC(C(=O)OC)Br TS65236 [1,1,0,0,0,0|1,0,0]=3 842 B7R0.10 CCC(C(=O)OC)Cl TS06135 [1,1,0,0,0,0|1,0,0]=3 843 B7R0.10 CCC(C(=O)OC)N TS41307 [1,1,0,0,0,0|1,0,0]=3 844 B7R0.10 CCC(C(C)C=O)S TS05778 [1,1,0,0,0,0|1,0,1]=4 845 B7R0.10 CCC(C)C(=C)CC TS04351 [1,1,0,0,0,0|1,0,1]=4 846 B7R0.10 CCC(C)C(=CC)C TS04350 [1,1,0,0,0,0|1,0,0]=3 847 B7R0.10 CCC(C)C(=O)CC TS04477 [1,1,0,0,0,0|0,0,1]=3 848 B7R0.10 CCC(C)C(=O)OC TS04590 [1,1,0,0,0,0|1,0,0]=3 849 B7R0.10 CCC(C)C(=O)SC TS05776 [1,1,0,0,0,0|1,0,0]=3 850 B7R0.10 CCC(C)C(C)C=O TS04460 [1,1,0,0,0,0|1,0,1]=4 851 B7R0.10 COC(=O)C(CBr)Br TS27392 [1,1,0,0,0,0|2,0,0]=4 852 B7R0.10 COC(=O)C(CCl)Cl TS10813 [1,1,0,0,0,0|2,0,0]=4 853 B7R0.10 COC(=O)C(CCl)N TS08717 [1,1,0,0,0,0|2,0,0]=4 854 B7R0.10 COC(=O)C(CO)Cl TS37246 [1,1,0,0,0,0|2,0,0]=4 855 B7R0.10 COC(=O)C(CO)N TS47365 [1,1,0,0,0,0|2,0,0]=4 856 B7R0.10 COC(=O)[C@@H](CCl)N TS45716 [1,1,0,0,0,0|2,0,0]=4 857 B7R0.10 COC(=O)[C@@H](CO)N TS55886 [1,1,0,0,0,0|2,0,0]=4 858 B7R0.10 COC(=O)[C@H](CCl)N TS06211 [1,1,0,0,0,0|2,0,0]=4 859 B7R0.10 COC(=O)[C@H](CO)N TS46686 [1,1,0,0,0,0|2,0,0]=4 860 B7R0.10 COC(=O)[C@H](CS)N TS64915 [1,1,0,0,0,0|2,0,0]=4 861 B7R0.10 COC(C(=O)OC)O TS01782 [1,1,0,0,0,0|2,0,0]=4 862 B7R0.10 C[C@@H](C(=O)OC)NC TS41312 [1,1,0,0,0,0|2,0,0]=4 863 B7R0.10 C[C@@H](CBr)C(=O)OC TS14724 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.10 C[C@@H](CO)C(=O)OC TS59397 [1,1,0,0,0,0|2,0,0]=4 865 B7R0.10 C[C@H](CBr)C(=O)OC TS14720 [1,1,0,0,0,0|2,0,0]=4 866 B7R0.10 C[C@H](CO)C(=O)OC TS32320 [1,1,0,0,0,0|2,0,0]=4 867 B7R0.11 CCCC(C=O)(Cl)Cl TS10544 [1,1,0,0,0,0|1,0,1]=4 868 B7R0.14 CCC(=O)C(C)(C)C TS04479 [1,1,0,0,0,0|1,0,1]=4 869 B7R0.15 CCC(=C(C)C)CC TS31979 [1,1,0,0,0,0|2,0,0]=4 870 B7R0.15 CCC(CC)C(=O)C TS04458 [1,1,0,0,0,0|1,0,1]=4 871 B7R0.15 CCN(CC)C(=O)C TS32172 [1,1,0,0,0,0|2,0,0]=4 872 B7R0.16 CC(=C)C(=O)N(C)C TS04392 [1,1,0,0,0,0|2,0,0]=4 873 B7R0.16 CC(C(=O)C(C)Br)Br TS27079 [1,1,0,0,0,0|1,0,1]=4 874 B7R0.16 CC(C(=O)N(C)C)Br TS14492 [1,1,0,0,0,0|2,0,0]=4 875 B7R0.16 CC(C(=O)N(C)C)O TS32283 [1,1,0,0,0,0|2,0,0]=4 876 B7R0.16 CC(C)C(=C(C)C)C TS31980 [1,1,0,0,0,0|2,0,0]=4 877 B7R0.16 CC(C)C(=O)C(=O)[O-] TS30827 [1,1,0,0,0,0|1,0,0]=3 878 B7R0.16 CC(C)C(=O)C(C)C TS04472 [1,1,0,0,0,0|1,0,1]=4 879 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [1,1,0,0,0,0|1,0,1]=4 880 B7R0.4 C(CCBr)CC(=O)O TS14721 [1,1,0,0,0,0|1,0,1]=4 881 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [1,1,0,0,0,0|1,0,1]=4 882 B7R0.4 C(CCCl)CC(=O)O TS06138 [1,1,0,0,0,0|1,0,1]=4 883 B7R0.4 C(CCN)CC(=O)O TS04661 [1,1,0,0,0,0|1,0,1]=4 884 B7R0.4 C(CCN)CC(=O)O TS41314 [1,1,0,0,0,0|1,0,1]=4 885 B7R0.4 C(COC(=O)Cl)CCl TS93963 [1,1,0,0,0,0|2,0,0]=4 886 B7R0.4 CC#CCOC(=O)C TS31919 [1,1,0,0,0,0|1,0,1]=4 887 B7R0.4 CC(=CCCC=C)C TS31846 [1,1,0,0,0,0|1,0,1]=4 888 B7R0.4 CC(=O)CCCC#N TS04252 [1,1,0,0,0,0|0,0,2]=4 889 B7R0.4 CC(=O)CCCCBr TS47671 [1,1,0,0,0,0|0,0,1]=3 890 B7R0.4 CC(=O)CCCCCl TS05947 [1,1,0,0,0,0|0,0,1]=3 891 B7R0.4 CC(=O)OCCC#C TS31899 [1,1,0,0,0,0|1,0,1]=4 892 B7R0.4 CC(=O)OCCC=C TS04442 [1,1,0,0,0,0|1,0,1]=4 893 B7R0.4 CC(=O)OCCCCl TS06130 [1,1,0,0,0,0|1,0,0]=3 894 B7R0.4 CC(=O)OCCOC TS32328 [1,1,0,0,0,0|1,0,0]=3 895 B7R0.4 CC=CC=CC(=O)C TS31841 [1,1,0,0,0,0|0,0,2]=4 896 B7R0.4 CCC=CCC(=O)O TS04425 [1,1,0,0,0,0|1,0,1]=4 897 B7R0.4 CCCC#CC(=C)C TS04147 [1,1,0,0,0,0|1,0,1]=4 898 B7R0.4 CCCC#CC(=O)C TS31834 [1,1,0,0,0,0|0,0,1]=3 899 B7R0.4 CCCC#CC(=O)O TS31912 [1,1,0,0,0,0|1,0,1]=4 900 B7R0.4 CCCC=CC(=O)C TS31936 [1,1,0,0,0,0|0,0,0]=2 901 B7R0.4 CCCC=CC(=O)O TS59547 [1,1,0,0,0,0|1,0,0]=3 902 B7R0.4 CCCC=CC(C)C TS04365 [1,1,0,0,0,0|1,0,1]=4 903 B7R0.4 CCCCC=C(C)C TS04347 [1,1,0,0,0,0|1,0,0]=3 904 B7R0.4 CCCCCC(=C)C TS04340 [1,1,0,0,0,0|1,0,1]=4 905 B7R0.4 CCCCCC(=O)C TS32098 [1,1,0,0,0,0|0,0,1]=3 906 B7R0.4 CCCCCC(=O)Cl TS05948 [1,1,0,0,0,0|1,0,1]=4 907 B7R0.4 CCCCCC(=O)N TS32152 [1,1,0,0,0,0|1,0,1]=4 908 B7R0.4 CCCCCC(=O)O TS32204 [1,1,0,0,0,0|1,0,1]=4 909 B7R0.4 CCCCCC(=O)[O-] TS37174 [1,1,0,0,0,0|1,0,1]=4 910 B7R0.4 CCCCCC(=O)[O-] TS58596 [1,1,0,0,0,0|1,0,1]=4 911 B7R0.4 CCCCNC(=O)C TS32171 [1,1,0,0,0,0|0,0,1]=3 912 B7R0.4 CCCCNC(=O)N TS04607 [1,1,0,0,0,0|1,0,1]=4 913 B7R0.4 CCCCOC(=O)C TS32218 [1,1,0,0,0,0|0,0,1]=3 914 B7R0.4 CCCCOC(=O)Cl TS16538 [1,1,0,0,0,0|1,0,1]=4 915 B7R0.4 CCCCOC(=O)N TS04660 [1,1,0,0,0,0|1,0,1]=4 916 B7R0.4 CCCCOC(=S)C TS05777 [1,1,0,0,0,0|0,1,1]=4 917 B7R0.4 CCCNCC(=O)O TS04670 [1,1,0,0,0,0|1,0,1]=4 918 B7R0.4 CCCOCC(=O)O TS32314 [1,1,0,0,0,0|1,0,1]=4 919 B7R0.4 CCCSCC(=O)O TS05921 [1,1,0,0,0,0|1,0,1]=4 920 B7R0.4 CCOC=CC(=O)Cl TS05940 [1,1,0,0,0,0|1,0,1]=4 921 B7R0.4 CCOC=CC(=O)O TS32181 [1,1,0,0,0,0|1,0,1]=4 922 B7R0.4 CCOCCC(=O)C TS04589 [1,1,0,0,0,0|0,0,1]=3 923 B7R0.4 CCOCCC(=O)O TS32325 [1,1,0,0,0,0|1,0,1]=4 924 B7R0.4 CNCCCC(=O)O TS41308 [1,1,0,0,0,0|1,0,1]=4 925 B7R0.4 COCCOC(=O)Cl TS37247 [1,1,0,0,0,0|2,0,0]=4 926 B7R0.6 CC(=C)CCC(=O)C TS04310 [1,1,0,0,0,0|0,0,2]=4 927 B7R0.6 CC(=C)COC(=O)C TS04432 [1,1,0,0,0,0|1,0,1]=4 928 B7R0.6 CC(=O)CCC(=O)C TS00680 [1,1,0,0,0,0|0,0,2]=4 929 B7R0.6 CC(=O)CNC(=O)C TS01998 [1,1,0,0,0,0|1,0,1]=4 930 B7R0.6 CC(=O)COC(=O)C TS32186 [1,1,0,0,0,0|1,0,1]=4 931 B7R0.6 CC(=O)OCC(F)F TS05005 [1,1,0,0,0,0|2,0,0]=4 932 B7R0.6 CC(C)C=CC(=O)C TS01150 [1,1,0,0,0,0|0,0,1]=3 933 B7R0.6 CC(C)C=CC(=O)O TS04440 [1,1,0,0,0,0|1,0,1]=4 934 B7R0.6 CC(C)CCC(=C)C TS31967 [1,1,0,0,0,0|1,0,1]=4 935 B7R0.6 CC(C)CCC(=O)C TS32095 [1,1,0,0,0,0|0,0,1]=3 936 B7R0.6 CC(C)CCC(=O)Cl TS05954 [1,1,0,0,0,0|1,0,1]=4 937 B7R0.6 CC(C)CCC(=O)O TS32208 [1,1,0,0,0,0|1,0,1]=4 938 B7R0.6 CC(C)CNC(=O)N TS04600 [1,1,0,0,0,0|2,0,0]=4 939 B7R0.6 CC(C)COC(=O)C TS04598 [1,1,0,0,0,0|1,0,0]=3 940 B7R0.6 CC(C)COC(=O)Cl TS74510 [1,1,0,0,0,0|2,0,0]=4 941 B7R0.6 CC(C)COC(=O)N TS32285 [1,1,0,0,0,0|2,0,0]=4 942 B7R0.6 CC(CCC(=C)C)O TS32103 [1,1,0,0,0,0|1,0,1]=4 943 B7R0.6 CC(CCC(=O)Cl)Cl TS10541 [1,1,0,0,0,0|1,0,1]=4 944 B7R0.6 CC(COC(=O)C)O TS32324 [1,1,0,0,0,0|1,0,0]=3 945 B9R0.4 CC(=O)CC(=O)OCC=C TS06662 [0,1,0,0,0,1|0,0,2]=4 946 B9R0.4 CCCCC(=O)CC(=O)C TS06695 [0,1,0,0,0,1|0,0,0]=2 947 B9R0.4 CCCCC(=O)CC(C)C TS37639 [0,1,0,0,0,1|1,0,1]=4 948 B9R0.4 CCCOC(=O)CC(=O)C TS06950 [0,1,0,0,0,1|0,0,0]=2 949 B9R0.4 CCCOC(=O)CC(C)C TS40218 [0,1,0,0,0,1|1,0,1]=4 950 B9R0.4 CCOCC(C)OC(=O)C TS40411 [0,1,0,0,0,1|1,0,1]=4 951 B9R0.6 CCOC(=O)C(C(=O)C)Cl TS00067 [0,1,0,0,0,1|1,0,0]=3 952 B9R0.6 CCOC(=O)C(C(=O)C)F TS40607 [0,1,0,0,0,1|1,0,0]=3 953 B9R0.6 CCOC(=O)C(C)C(=O)C TS00094 [0,1,0,0,0,1|1,0,0]=3 954 B9R0.14 CCCC(C=C)OC(=O)C TS06697 [0,1,0,0,0,1|1,0,1]=4 955 B9R0.23 CC(=O)CC(=O)C(=O)OC TS40145 [0,1,0,0,0,1|1,0,1]=4 956 B9R0.23 CCC(C)C(=O)OC(C)C TS40221 [0,1,0,0,0,1|1,0,1]=4 957 B9R0.34 CCC(=O)CC(=O)OCC TS01475 [0,1,0,0,0,1|1,0,0]=3 958 B9R0.34 CCCC(=O)CC(=O)OC TS08578 [0,1,0,0,0,1|0,0,0]=2 959 B9R0.34 CCCC(CC(=O)OC)O TS40426 [0,1,0,0,0,1|0,0,2]=4 960 B9R0.34 CCOC(=O)C=C(C)C=O TS37563 [0,1,0,0,0,1|1,0,0]=3 961 B9R0.34 CCOC(=O)C=C(C)CBr TS20309 [0,1,0,0,0,1|2,0,0]=4 962 B9R0.34 CCOC(=O)C=C(C)NC TS02839 [0,1,0,0,0,1|2,0,0]=4 963 B9R0.34 CCOC(=O)CC(=O)CBr TS70980 [0,1,0,0,0,1|1,0,0]=3 964 B9R0.34 CCOC(=O)CC(=O)CCl TS42828 [0,1,0,0,0,1|1,0,0]=3 965 B9R0.34 CCOC(=O)CC(=O)NN TS40379 [0,1,0,0,0,1|2,0,0]=4 966 B9R0.34 CCOC(=O)NC(=O)CCl TS42960 [0,1,0,0,0,1|1,0,0]=3 967 B9R0.34 COCC(=O)CC(=O)OC TS07163 [0,1,0,0,0,1|1,0,0]=3 968 B9R0.44 CCCC(=O)O[Si](C)(C)C TS11316 [0,1,0,0,0,1|1,1,0]=4 969 B9R0.44 CCOC(=O)CS(=O)(=O)C TS43088 [0,1,0,0,0,1|2,0,0]=4 970 B9R0.44 COCC(=O)CS(=O)(=O)C TS43090 [0,1,0,0,0,1|2,0,0]=4 971 B9R0.53 CC(C)CC(=O)CC(=O)C TS06714 [0,1,0,0,0,1|0,0,0]=2 972 B9R0.53 CC(C)CC(=O)CC(C)C TS06759 [0,1,0,0,0,1|1,0,1]=4 973 B9R0.53 CC(C)CC(=O)OC(C)C TS40215 [0,1,0,0,0,1|1,0,1]=4 974 B9R0.53 CC(C)CC(C)CC(=O)C TS37641 [0,1,0,0,0,1|1,0,1]=4 975 B9R0.53 CC(C)OC(=O)C=C(C)N TS01510 [0,1,0,0,0,1|2,0,0]=4 976 B9R0.53 CC(C)OC(=O)CC(=O)C TS06935 [0,1,0,0,0,1|1,0,0]=3 977 B9R0.53 CC(C)SC(=O)C=C(C)C TS11047 [0,1,0,0,0,1|2,0,0]=4 978 B9R0.27 CCC(C)C(=O)C(C)CC TS06741 [0,2,0,0,0,0|1,0,1]=4 979 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS07103 [0,2,0,0,0,0|1,0,1]=4 980 B9R0.27 CC[C@H](C)[C@@H](C(=O)OC)N TS16615 [0,2,0,0,0,0|1,0,1]=4 981 B9R0.41 CCN(CC)C(=O)C(=C)C TS06603 [0,2,0,0,0,0|2,0,0]=4 982 B9R0.41 CCN(CC)C(=O)S(=O)C TS42614 [0,2,0,0,0,0|2,0,0]=4 983 B9R0.8 CCCCC(=O)C(C)CC TS37636 [0,2,0,0,0,0|1,0,1]=4 984 B9R0.8 CCCCC(C(=O)OC)Br TS20685 [0,2,0,0,0,0|1,0,1]=4 985 B9R0.8 CCCCC(C(=O)OC)Br TS93880 [0,2,0,0,0,0|1,0,1]=4 986 B9R0.8 CCCCC(C(=O)OC)N TS48157 [0,2,0,0,0,0|1,0,1]=4 987 B9R0.8 CCCC[C@@H](C(=O)OC)N TS48152 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.8 CCCOC(=O)C(=CC)C TS06700 [0,2,0,0,0,0|1,0,0]=3 989 B9R0.8 CCCOC(=O)C(C)CC TS40216 [0,2,0,0,0,0|1,0,1]=4 990 B9R0.8 COC(=O)C(CCCBr)Br TS39897 [0,2,0,0,0,0|1,0,1]=4 991 B9R0.8 COC(=O)C(CCSC)N TS37822 [0,2,0,0,0,0|1,0,1]=4 992 B9R0.8 COC(=O)[C@@H](CCSC)N TS37817 [0,2,0,0,0,0|1,0,1]=4 993 B9R0.8 COC(=O)[C@H](CCCN)N TS49564 [0,2,0,0,0,0|1,0,1]=4 994 B9R0.8 COC(=O)[C@H](CCSC)N TS07678 [0,2,0,0,0,0|1,0,1]=4 995 B9R0.35 CCC=C(C)C(=O)OCC TS37603 [0,2,0,0,0,0|1,0,1]=4 996 B9R0.35 CCCC(=O)C(=O)OCC TS85095 [0,2,0,0,0,0|0,0,0]=2 997 B9R0.35 CCCC(C(=O)CCC)O TS40202 [0,2,0,0,0,0|0,0,2]=4 998 B9R0.35 CCCC(C(=O)OCC)Br TS20692 [0,2,0,0,0,0|1,0,1]=4 999 B9R0.35 CCCC(C(=O)OCC)O TS40414 [0,2,0,0,0,0|0,0,2]=4 1000 B9R0.35 CCCC(C)C(=O)CCC TS06752 [0,2,0,0,0,0|1,0,1]=4 1001 B9R0.35 CCCC(C)C(=O)OCC TS06992 [0,2,0,0,0,0|1,0,1]=4 1002 B9R0.35 CCC[C@@H](C(=O)OCC)N TS48149 [0,2,0,0,0,0|1,0,1]=4 1003 B9R0.35 CCNC(=O)C(=O)NCC TS40173 [0,2,0,0,0,0|1,0,0]=3 1004 B9R0.35 CCOC(=O)C(=O)OCC TS01436 [0,2,0,0,0,0|1,0,0]=3 1005 B9R0.35 CCOC(=O)C(C)N=C=O TS06825 [0,2,0,0,0,0|1,0,1]=4 1006 B9R0.37 CCCC(=O)C(CC)CC TS06749 [0,2,0,0,0,0|1,0,1]=4 1007 B9R0.37 CCCC(=O)N(CC)CC TS40109 [0,2,0,0,0,0|2,0,0]=4 1008 B9R0.3 CCCCC(=O)C(C)(C)C TS06742 [0,2,0,0,0,0|1,0,1]=4 1009 B9R0.7 C(CC(=O)O)C(=O)C(=O)O TS55733 [0,2,0,0,0,0|1,0,1]=4 1010 B9R0.7 C(CC(=O)O)C(=O)C(=O)O TS70456 [0,2,0,0,0,0|1,0,1]=4 1011 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)O TS15251 [0,2,0,0,0,0|1,0,1]=4 1012 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS12453 [0,2,0,0,0,0|1,0,1]=4 1013 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS12608 [0,2,0,0,0,0|1,0,1]=4 1014 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS48539 [0,2,0,0,0,0|1,0,1]=4 1015 B9R0.7 C(CC(=O)[O-])C(=O)C(=O)[O-] TS50159 [0,2,0,0,0,0|1,0,1]=4 1016 B9R0.7 CC(=C)COC(=O)C(=C)C TS06472 [0,2,0,0,0,0|1,0,1]=4 1017 B9R0.7 CC(C)C(=O)CCN(C)C TS06877 [0,2,0,0,0,0|1,0,1]=4 1018 B9R0.7 CC(C)COC(=O)C(=C)C TS37616 [0,2,0,0,0,0|1,0,0]=3 1019 B9R0.7 CC(C)COC(=O)C(C)C TS40217 [0,2,0,0,0,0|1,0,1]=4 1020 B9R0.7 CC(CNC(=O)C(=C)C)O TS40079 [0,2,0,0,0,0|1,0,0]=3 1021 B9R0.7 CC(COC(=O)C(=C)C)O TS06952 [0,2,0,0,0,0|1,0,0]=3 1022 B9R0.7 C[C@@H](C(=O)OCC(C)C)Cl TS11958 [0,2,0,0,0,0|1,0,1]=4 1023 B9R0.7 C[C@H](C(=O)OCC(C)C)O TS40428 [0,2,0,0,0,0|0,0,2]=4 1024 B9R0.42 CCC(C)OC(=O)C(=C)C TS06702 [0,2,0,0,0,0|1,0,0]=3 1025 B9R0.47 CC(=C)C(=O)NCCCN TS56336 [0,2,0,0,0,0|1,0,0]=3 1026 B9R0.47 CC(=C)C(=O)OCCC#N TS06360 [0,2,0,0,0,0|1,0,1]=4 1027 B9R0.47 CC(=C)C(=O)OCCOC TS06936 [0,2,0,0,0,0|1,0,0]=3 1028 B9R0.47 CC(=C)C(=O)OCCSC TS11295 [0,2,0,0,0,0|1,0,0]=3 1029 B9R0.47 CCCCCC(=C(C)C)C TS06522 [0,2,0,0,0,0|2,0,0]=4 1030 B9R0.47 CCCCCC(=O)C(=O)C TS06710 [0,2,0,0,0,0|0,0,0]=2 1031 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,2,0,0,0,0|1,0,1]=4 1032 B9R0.47 CCCCCC(=O)N(C)C TS40099 [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.47 CCCCNC(=O)C(=C)C TS64944 [0,2,0,0,0,0|1,0,0]=3 1034 B9R0.47 CCCCNC(=O)N(C)C TS06999 [0,2,0,0,0,0|2,0,0]=4 1035 B9R0.47 CCCCOC(=O)C(=C)C TS37597 [0,2,0,0,0,0|1,0,0]=3 1036 B9R0.47 CCCCOC(=O)C(=C)F TS40404 [0,2,0,0,0,0|1,0,1]=4 1037 B9R0.47 CCCCOC(=O)C(=O)C TS06949 [0,2,0,0,0,0|0,0,0]=2 1038 B9R0.47 CCCCOC(=O)C(=O)N TS40299 [0,2,0,0,0,0|1,0,0]=3 1039 B9R0.47 CCCCOC(=O)C(C)Br TS20684 [0,2,0,0,0,0|1,0,1]=4 1040 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,2,0,0,0,0|1,0,1]=4 1041 B9R0.11 CC(C)CC(C)(C)C(=O)C TS06755 [0,2,0,0,0,0|1,0,1]=4 1042 B9R0.15 CCCC(=CC=C)C(=O)O TS06475 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.15 CCCC(=CCC)C(=O)O TS37607 [0,2,0,0,0,0|2,0,0]=4 1044 B9R0.33 CCCC(C(=O)C)C(=O)C TS37592 [0,2,0,0,0,0|0,0,1]=3 1045 B9R0.33 CCCC(C(=O)O)C(=O)O TS07159 [0,2,0,0,0,0|1,0,1]=4 1046 B9R0.57 CC(=C)C(=O)OC(C)(C)C TS37593 [0,2,0,0,0,0|2,0,0]=4 1047 B9R0.57 CC(C)(C)CC(=O)C(=O)O TS06947 [0,2,0,0,0,0|1,0,0]=3 1048 B7R1.1 C1C=C(CS1)C=O TS04454 [1,0,0,1,0,0|2,0,0]=4 1049 B7R1.1 C1CC(OC1)C=O TS16819 [1,0,0,1,0,0|0,0,2]=4 1050 B7R1.1 C1CCC(C1)C=O TS55823 [1,0,0,1,0,0|1,0,1]=4 1051 B7R1.1 C1CCN(C1)C=O TS03825 [1,0,0,1,0,0|2,0,0]=4 1052 B7R1.1 CC=C1CCCC1 TS03729 [1,0,0,1,0,0|1,0,0]=3 1053 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,1,0,0|1,0,1]=4 1054 B7R1.1 COC1=NCCC1 TS03819 [1,0,0,1,0,0|2,0,0]=4 1055 B7R1.2 C1C(CNC1=O)N TS87465 [1,0,0,1,0,0|2,0,0]=4 1056 B7R1.2 C1C(COC1=O)O TS31581 [1,0,0,1,0,0|2,0,0]=4 1057 B7R1.2 C1[C@@H](CNC1=O)O TS00313 [1,0,0,1,0,0|2,0,0]=4 1058 B7R1.2 C1[C@@H](CNC1=O)S TS04685 [1,0,0,1,0,0|2,0,0]=4 1059 B7R1.2 C1[C@@H](COC1=O)N TS37130 [1,0,0,1,0,0|2,0,0]=4 1060 B7R1.2 C1[C@@H](COC1=O)O TS33101 [1,0,0,1,0,0|2,0,0]=4 1061 B7R1.2 C1[C@H](C=CC1=O)O TS03770 [1,0,0,1,0,0|1,0,1]=4 1062 B7R1.2 C1[C@H](CNC1=O)O TS01973 [1,0,0,1,0,0|2,0,0]=4 1063 B7R1.2 C1[C@H](CNC1=O)S TS04686 [1,0,0,1,0,0|2,0,0]=4 1064 B7R1.2 C1[C@H](COC1=O)O TS46585 [1,0,0,1,0,0|2,0,0]=4 1065 B7R1.2 CC1COC(=O)O1 TS08062 [1,0,0,1,0,0|2,0,0]=4 1066 B7R1.2 CC1COC(=O)O1 TS93060 [1,0,0,1,0,0|2,0,0]=4 1067 B7R1.2 C[C@@H]1CCC(=O)O1 TS31495 [1,0,0,1,0,0|1,0,1]=4 1068 B7R1.2 C[C@@H]1COC(=O)N1 TS31548 [1,0,0,1,0,0|2,0,0]=4 1069 B7R1.2 C[C@H]1COC(=O)N1 TS31534 [1,0,0,1,0,0|2,0,0]=4 1070 B7R1.2 C[C@H]1COC(=O)O1 TS94519 [1,0,0,1,0,0|2,0,0]=4 1071 B7R1.3 C1CC(=O)CNC1 TS02886 [1,0,0,1,0,0|1,0,1]=4 1072 B7R1.3 C1CC(=O)CNC1 TS59353 [1,0,0,1,0,0|1,0,1]=4 1073 B7R1.3 C1CC(=O)COC1 TS22954 [1,0,0,1,0,0|0,0,2]=4 1074 B7R1.3 C1CC(=O)COC1 TS89862 [1,0,0,1,0,0|0,0,2]=4 1075 B7R1.3 C1CC(=O)CSC1 TS90226 [1,0,0,1,0,0|0,1,1]=4 1076 B7R1.3 C1CC=CC(=O)C1 TS39840 [1,0,0,1,0,0|0,0,1]=3 1077 B7R1.3 C1CCC(=CC1)Cl TS04654 [1,0,0,1,0,0|1,0,0]=3 1078 B7R1.3 C1CCC(=O)CC1 TS31441 [1,0,0,1,0,0|0,0,1]=3 1079 B7R1.3 C1CCNC(=N)C1 TS05957 [1,0,0,1,0,0|2,0,0]=4 1080 B7R1.3 C1CCNC(=O)C1 TS01420 [1,0,0,1,0,0|1,0,0]=3 1081 B7R1.3 C1CCOC(=O)C1 TS01892 [1,0,0,1,0,0|1,0,0]=3 1082 B7R1.3 C1CNC(=O)CN1 TS59349 [1,0,0,1,0,0|2,0,0]=4 1083 B7R1.3 C1CNC(=O)NC1 TS59429 [1,0,0,1,0,0|2,0,0]=4 1084 B7R1.3 C1CNCCC1=O TS02248 [1,0,0,1,0,0|1,0,1]=4 1085 B7R1.3 C1CNCCC1=O TS71284 [1,0,0,1,0,0|1,0,1]=4 1086 B7R1.3 C1COC(=O)C=C1 TS03767 [1,0,0,1,0,0|1,0,1]=4 1087 B7R1.3 C1COC(=O)CO1 TS31576 [1,0,0,1,0,0|2,0,0]=4 1088 B7R1.3 C1COC(=O)OC1 TS31584 [1,0,0,1,0,0|2,0,0]=4 1089 B7R1.3 C1COCC(=O)N1 TS01573 [1,0,0,1,0,0|2,0,0]=4 1090 B7R1.3 C1COCCC1=O TS59431 [1,0,0,1,0,0|1,0,1]=4 1091 B7R1.3 C1CSCCC1=O TS59432 [1,0,0,1,0,0|1,0,1]=4 1092 B7R1.4 C1CC(=C(C1)Br)Br TS52252 [1,0,0,1,0,0|2,0,0]=4 1093 B7R1.4 C1CC(=O)C(=C1)Br TS11349 [1,0,0,1,0,0|1,0,1]=4 1094 B7R1.4 C1CC(C(=O)C1)Br TS55161 [1,0,0,1,0,0|1,0,1]=4 1095 B7R1.4 C1CC(C(=O)C1)Cl TS04768 [1,0,0,1,0,0|1,0,1]=4 1096 B7R1.4 C=C1CCOC1=O TS46473 [1,0,0,1,0,0|1,0,1]=4 1097 B7R1.4 CC1=C(CCC1)C TS03727 [1,0,0,1,0,0|1,0,0]=3 1098 B7R1.4 CC1=C(CCO1)S TS04610 [1,0,0,1,0,0|1,1,0]=4 1099 B7R1.4 CC1=C(CCO1)S TS11013 [1,0,0,1,0,0|1,1,0]=4 1100 B7R1.4 CC1=CCCC1=O TS31367 [1,0,0,1,0,0|0,0,1]=3 1101 B7R1.4 CC1=CCOC1=O TS03756 [1,0,0,1,0,0|1,0,1]=4 1102 B7R1.4 CC1C(=O)CCO1 TS31501 [1,0,0,1,0,0|1,0,1]=4 1103 B7R1.4 CC1C(=O)CCS1 TS04612 [1,0,0,1,0,0|1,0,1]=4 1104 B7R1.4 CC1CCNC1=O TS70662 [1,0,0,1,0,0|1,0,1]=4 1105 B7R1.4 CC1CCOC1=O TS59696 [1,0,0,1,0,0|1,0,1]=4 1106 B7R1.4 CN1CCCC1=O TS46986 [1,0,0,1,0,0|1,0,0]=3 1107 B7R1.8 C1CC(=O)C1CO TS92430 [1,0,0,1,0,0|1,0,1]=4 1108 B7R1.22 C1CC1C(=O)CBr TS55070 [1,0,0,1,0,0|1,0,1]=4 1109 B7R1.22 C1CC1C(=O)NN TS55829 [1,0,0,1,0,0|2,0,0]=4 1110 B7R1.22 COC(=O)C1CC1 TS77154 [1,0,0,1,0,0|1,0,0]=3 1111 B7R1.22 COC(=O)C1CN1 TS31541 [1,0,0,1,0,0|2,0,0]=4 1112 B7R1.22 COC(=O)[C@@H]1CN1 TS31535 [1,0,0,1,0,0|2,0,0]=4 1113 B7R1.22 COC(=O)[C@@H]1CO1 TS31582 [1,0,0,1,0,0|2,0,0]=4 1114 B7R1.22 COC(=O)[C@H]1CN1 TS31537 [1,0,0,1,0,0|2,0,0]=4 1115 B7R1.22 COC(=O)[C@H]1CO1 TS46617 [1,0,0,1,0,0|2,0,0]=4 1116 B7R1.19 CC(=O)C1(CC1)C TS31439 [1,0,0,1,0,0|1,0,1]=4 1117 B7R1.20 C1CC1CC(=O)O TS55836 [1,0,0,1,0,0|1,0,1]=4 1118 B9R1.7 CCCC1=NNC(=O)C1 TS36131 [0,0,0,1,0,1|2,0,0]=4 1119 B9R1.7 CCCC1CCC(=O)O1 TS36311 [0,0,0,1,0,1|1,0,1]=4 1120 B9R1.7 CCOC1=CC(=O)CC1 TS36121 [0,0,0,1,0,1|2,0,0]=4 1121 B9R1.13 CC(=O)CC1CCCC1 TS05185 [0,0,0,1,0,1|1,0,1]=4 1122 B9R1.22 CCC1C(=O)NC(=O)N1 TS05314 [0,0,0,1,0,1|1,0,0]=3 1123 B9R1.34 C1C(=O)CC(=O)OC1=O TS05307 [0,0,0,1,0,1|1,0,1]=4 1124 B9R1.34 CC1CC(=CC(=O)C1)C TS36008 [0,0,0,1,0,1|1,0,0]=3 1125 B9R1.34 CC1CC(=CC(=O)O1)O TS36271 [0,0,0,1,0,1|1,0,1]=4 1126 B9R1.34 CC1CC(=O)CC(=O)C1 TS36118 [0,0,0,1,0,1|0,0,0]=2 1127 B9R1.34 CC1CC(=O)CC(O1)C TS05346 [0,0,0,1,0,1|0,0,2]=4 1128 B9R1.34 CC1CC(=O)NC(=O)N1 TS36285 [0,0,0,1,0,1|1,0,0]=3 1129 B9R1.34 CC1CC(=O)OC(=O)C1 TS36277 [0,0,0,1,0,1|0,0,0]=2 1130 B9R1.34 CC1CC(CC(=O)C1)C TS22764 [0,0,0,1,0,1|1,0,1]=4 1131 B9R1.34 C[C@@H]1C[C@@H](CC(=O)C1)C TS36153 [0,0,0,1,0,1|1,0,1]=4 1132 B9R1.41 C1CC(=C(C1)N)C(=O)O TS36222 [0,0,0,1,0,1|2,0,0]=4 1133 B9R1.41 C1CN(C(=O)N1)C(=O)Cl TS40701 [0,0,0,1,0,1|2,0,0]=4 1134 B9R1.41 C1CNC(=O)C1C(=O)O TS87543 [0,0,0,1,0,1|2,0,0]=4 1135 B9R1.41 CC(=O)C1CCCC1=O TS36123 [0,0,0,1,0,1|0,0,0]=2 1136 B9R1.41 CC(=O)C1CCOC1=O TS08258 [0,0,0,1,0,1|1,0,0]=3 1137 B9R1.41 CC(=O)N1CCCC1=O TS36228 [0,0,0,1,0,1|0,0,0]=2 1138 B9R1.41 CC(=O)N1CCNC1=O TS64988 [0,0,0,1,0,1|1,0,0]=3 1139 B9R1.41 CC(=O)N1CCOC1=O TS05431 [0,0,0,1,0,1|1,0,0]=3 1140 B9R1.41 CC(C)N1CCCC1=O TS36238 [0,0,0,1,0,1|1,0,1]=4 1141 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [0,0,0,1,0,1|0,0,0]=2 1142 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [0,0,0,1,0,1|0,0,0]=2 1143 B9R1.66 CC1(CCCC(=O)C1)C TS05189 [0,0,0,1,0,1|1,0,1]=4 1144 B9R1.137 CC(=O)CC(=O)C1CC1 TS36126 [0,0,0,1,0,1|0,0,0]=2 1145 B9R1.137 CC(C)OC(=O)C1CC1 TS36299 [0,0,0,1,0,1|1,0,1]=4 1146 B9R1.137 CC(C1CC1)OC(=O)C TS36309 [0,0,0,1,0,1|1,0,1]=4 1147 B9R1.3 C1CC(=C(C(=O)C1)Cl)O TS07278 [0,1,0,1,0,0|1,0,1]=4 1148 B9R1.3 C1CC(=O)C(C(=O)C1)Br TS17220 [0,1,0,1,0,0|1,0,1]=4 1149 B9R1.3 CC1C(=O)CCCC1=O TS05155 [0,1,0,1,0,0|0,0,1]=3 1150 B9R1.3 CC1CCCC(=O)C1=O TS05153 [0,1,0,1,0,0|0,0,0]=2 1151 B9R1.3 CN1CCCC(C1=O)N TS88173 [0,1,0,1,0,0|1,0,1]=4 1152 B9R1.3 CN1CCCN(C1=O)C TS59889 [0,1,0,1,0,0|2,0,0]=4 1153 B9R1.37 CC1C(=C(C(=O)O1)O)C TS36275 [0,1,0,1,0,0|1,0,1]=4 1154 B9R1.37 CC1C(=O)CC(=O)C1=O TS05133 [0,1,0,1,0,0|1,0,1]=4 1155 B9R1.37 CN1C(=O)C[C@@H](C1=O)O TS05438 [0,1,0,1,0,0|2,0,0]=4 1156 B9R1.110 CC(=O)N(C)C1CNC1 TS91231 [0,1,0,1,0,0|2,0,0]=4 1157 B9R1.110 CN(C)C(=O)C1CNC1 TS87065 [0,1,0,1,0,0|2,0,0]=4 1158 B9R1.132 CCC1=C(C(=O)CC1)O TS05152 [0,1,0,1,0,0|0,0,2]=4 1159 B9R1.138 CC1CCC(C1=O)(C)C TS05175 [0,1,0,1,0,0|1,0,1]=4 1160 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,1,0,1,0,0|2,0,0]=4 1161 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,1,0,1,0,0|1,0,1]=4 1162 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,1,0,1,0,0|1,0,1]=4 1163 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,1,0,1,0,0|1,0,1]=4 1164 B9R1.5 CN1CCCCCC1=O TS36239 [0,1,0,1,0,0|2,0,0]=4 1165 B9R1.5 CN1CCCNCC1=O TS05356 [0,1,0,1,0,0|2,0,0]=4 1166 B9R1.11 C1CCN(C1)C(=O)CCl TS08382 [0,1,0,1,0,0|2,0,0]=4 1167 B9R1.11 C1CCN(C1)C(=O)CN TS11965 [0,1,0,1,0,0|2,0,0]=4 1168 B9R1.11 CNC(=O)[C@@H]1CCCN1 TS11964 [0,1,0,1,0,0|1,0,1]=4 1169 B9R1.11 COC(=O)C1=CCCC1 TS85230 [0,1,0,1,0,0|1,0,0]=3 1170 B9R1.11 COC(=O)C1CCCC1 TS05351 [0,1,0,1,0,0|1,0,1]=4 1171 B9R1.11 COC(=O)C1CCCN1 TS42981 [0,1,0,1,0,0|1,0,1]=4 1172 B9R1.11 COC(=O)C1CCCO1 TS02300 [0,1,0,1,0,0|0,0,2]=4 1173 B9R1.11 COC(=O)N1CCCC1 TS36396 [0,1,0,1,0,0|2,0,0]=4 1174 B9R1.11 COC(=O)[C@@H]1CCCN1 TS42969 [0,1,0,1,0,0|1,0,1]=4 1175 B9R1.11 COC(=O)[C@H]1CCCN1 TS42971 [0,1,0,1,0,0|1,0,1]=4 1176 B9R1.15 C1CC(=[N+]=[N-])C(=O)NC1 TS36050 [0,1,0,1,0,0|2,0,0]=4 1177 B9R1.15 C1CCC(=O)C(=CO)C1 TS36117 [0,1,0,1,0,0|0,0,1]=3 1178 B9R1.15 C1CCC(=O)C(C1)C#N TS04966 [0,1,0,1,0,0|1,0,1]=4 1179 B9R1.15 C=CN1CCCCC1=O TS36060 [0,1,0,1,0,0|2,0,0]=4 1180 B9R1.15 CC=C1CCCCC1=O TS36005 [0,1,0,1,0,0|1,0,0]=3 1181 B9R1.15 COC1CCCCC1=O TS05343 [0,1,0,1,0,0|0,0,2]=4 1182 B9R1.15 CO[C@H]1CCCCC1=O TS36300 [0,1,0,1,0,0|0,0,2]=4 1183 B9R1.15 CSC1CCCCC1=O TS40228 [0,1,0,1,0,0|0,1,1]=4 1184 B9R1.33 CCCN1CCCC1=O TS05280 [0,1,0,1,0,0|2,0,0]=4 1185 B9R1.69 CC1CCC(=O)N(C1)C TS36241 [0,1,0,1,0,0|2,0,0]=4 1186 B9R1.69 CC1CCC(C(=O)C1)C TS05183 [0,1,0,1,0,0|1,0,1]=4 1187 B9R1.69 CC1CN(CCC1=O)C TS00372 [0,1,0,1,0,0|1,0,1]=4 1188 B9R1.69 CN1CC(CCC1=O)N TS86285 [0,1,0,1,0,0|2,0,0]=4 1189 B9R1.186 COC(=O)C1(CCC1)N TS42974 [0,1,0,1,0,0|1,0,1]=4 1190 B9R1.186 COC(=O)C1(CCC1)N TS59496 [0,1,0,1,0,0|1,0,1]=4 1191 B9R1.6 C1CCC(=CC1)C(=O)O TS05156 [0,1,0,1,0,0|2,0,0]=4 1192 B9R1.6 CC(=O)C1=CCCCC1 TS36007 [0,1,0,1,0,0|1,0,0]=3 1193 B9R1.6 CC(=O)C1CCCCC1 TS05176 [0,1,0,1,0,0|1,0,1]=4 1194 B9R1.6 CC(=O)C1CCCCN1 TS59502 [0,1,0,1,0,0|1,0,1]=4 1195 B9R1.6 CC(=O)N1CCCCC1 TS05281 [0,1,0,1,0,0|2,0,0]=4 1196 B9R1.6 CC(=O)N1CCNCC1 TS46837 [0,1,0,1,0,0|2,0,0]=4 1197 B9R1.6 CC(=O)N1CCOCC1 TS05453 [0,1,0,1,0,0|2,0,0]=4 1198 B9R1.23 CN1CC(CC1=O)CN TS89280 [0,1,0,1,0,0|2,0,0]=4 1199 B9R1.35 CC(=O)N1CCC(C1)N TS90065 [0,1,0,1,0,0|2,0,0]=4 1200 B9R1.35 CC(=O)N1CC[C@H](C1)O TS86695 [0,1,0,1,0,0|2,0,0]=4 1201 B9R1.40 CC1(CCCCC1=O)C TS05203 [0,1,0,1,0,0|1,0,1]=4 1202 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [0,1,0,1,0,0|1,0,1]=4 1203 B9R1.40 CC1(CCCOC1=O)C TS36287 [0,1,0,1,0,0|1,0,1]=4 1204 B9R1.40 CC1(CNCCC1=O)C TS90878 [0,1,0,1,0,0|1,0,1]=4 1205 B9R1.100 CCCNC(=O)C1CC1 TS05284 [0,1,0,1,0,0|1,0,1]=4 1206 B9R1.163 CC(=O)C1(CCCC1)O TS36306 [0,1,0,1,0,0|0,0,2]=4 1207 B9R1.36 CC1=C(CC(C1)(C)C)C TS05064 [0,1,0,1,0,0|2,0,0]=4 1208 B9R1.36 CC1CC(CC1=O)(C)C TS36158 [0,1,0,1,0,0|1,0,1]=4 1209 B9R1.164 CC1(CC(=C1)C(=O)O)C TS87565 [0,1,0,1,0,0|2,0,0]=4 1210 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,2,0,0|0,0,2]=4 1211 B9R2.87 C1CC1C(=O)C2CC2 TS55853 [0,0,0,2,0,0|1,0,1]=4 1212 B9R0.48 C(CN)C(=O)NCC(=O)O TS07180 [0,0,0,0,0,2|2,0,0]=4 1213 B9R0.48 CCCC(=O)CCC(=O)C TS06705 [0,0,0,0,0,2|0,0,0]=2 1214 B9R0.48 CCCC(=O)OCC(C)C TS06993 [0,0,0,0,0,2|1,0,1]=4 1215 B9R0.48 CCCC(C)CCC(=O)C TS37638 [0,0,0,0,0,2|1,0,1]=4 1216 B9R0.48 CCCC(C)COC(=O)C TS40203 [0,0,0,0,0,2|1,0,1]=4 1217 B9R0.48 CCNC(=O)C=CC(=O)O TS40065 [0,0,0,0,0,2|2,0,0]=4 1218 B9R0.48 CCOC(=O)C=CC(=O)O TS06928 [0,0,0,0,0,2|2,0,0]=4 1219 B9R0.48 CCOC(=O)C=CC(=O)[O-] TS60902 [0,0,0,0,0,2|2,0,0]=4 1220 B9R0.48 CCOC(=O)CCC(=O)C TS60125 [0,0,0,0,0,2|1,0,0]=3 1221 B9R0.48 CCOC(=O)CCC(=O)N TS40295 [0,0,0,0,0,2|2,0,0]=4 1222 B9R0.48 CCOC(=O)CCC(=O)[O-] TS40374 [0,0,0,0,0,2|2,0,0]=4 1223 B9R0.48 CCOC(=O)CNC(=O)C TS40290 [0,0,0,0,0,2|1,0,0]=3 1224 B9R0.48 CCOC(=O)CNC(=O)N TS40380 [0,0,0,0,0,2|2,0,0]=4