0 B6R0.3 C=C(CBr)C(O)=O M10448395P [0,0,0,0,0,0|3,0,1]=4 1 B6R0.3 CC(C(CBr)=O)=O M10070633P [0,0,0,0,0,0|1,1,1]=3 2 B6R0.3 CC(C(NC)=O)=C M10058367P [0,0,0,0,0,0|2,1,1]=4 3 B6R0.3 CC(C(S)CC)=O M10426560P [0,0,0,0,0,0|0,0,0]=0 4 B6R0.3 CC(N(C)C=C)=O M10052111P [0,0,0,0,0,0|2,0,2]=4 5 B6R0.3 CC(NC)C(O)=O M10015418P [0,0,0,0,0,0|3,0,0]=3 6 B6R0.3 CC(OC)C(O)=O M10062023P [0,0,0,0,0,0|3,0,0]=3 7 B6R0.3 CCC(B(O)O)C M10538835P [0,0,0,0,0,0|3,0,1]=4 8 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,0,0,0,0,0|2,0,0]=2 9 B6R0.3 CCC(C(O)=O)=C M10055842P [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,0,0,0,0,0|3,0,0]=3 11 B6R0.3 C\C(C(O)=O)=C\C M10014266P [0,0,0,0,0,0|2,0,2]=4 12 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 N[C@H](CS)C(O)=O M10832565P [0,0,0,0,0,0|3,0,0]=3 14 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [0,0,0,0,0,0|3,0,0]=3 15 B6R0.3 O=C(N)C(N)C#N M10095757P [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 O=C(O)C(N)CS M10631134P [0,0,0,0,0,0|3,0,0]=3 17 B6R0.3 O=C(O)C(O)CCl M10035208P [0,0,0,0,0,0|2,1,0]=3 18 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 C=C(C)C[Mg]Cl M10078985P [1,0,0,0,0,0|3,0,0]=4 20 B5R0.1 C=C(OCC)C M10023218P [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(C)=CCCl M10012522P [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(C)CCI M10013642P [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CC(CC#N)=O M10044340P [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CC(CCCl)=O M10089400P [1,0,0,0,0,0|1,0,0]=2 25 B5R0.1 CC(COC)=O M10081509P [1,0,0,0,0,0|1,0,0]=2 26 B5R0.1 CC(N)CCC M10393249P [1,0,0,0,0,0|1,0,1]=3 27 B5R0.1 CC(N)CCO M10048445P [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CC(OC=O)=O M10041862P [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CC(OCC)=N M10041195P [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 CSCS(C)=O M10220911P [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 C[C@@H](N)CCO M10335804P [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 C[C@@H](O)COC M10067779P [1,0,0,0,0,0|1,0,2]=4 33 B5R0.1 C[C@H](N)CCO M10335803P [1,0,0,0,0,0|2,0,1]=4 34 B5R0.1 C[C@H](O)COC M10194416P [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 C[SiH](OCC)C M10133661P [1,0,0,0,0,0|2,1,0]=4 36 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 ClCOC(C)=O M10016791P [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 NC(OCC)=N M10213773P [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 NCCN(C)C M10003486P [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 O=C(Cl)OCCl M10173503P [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 O=C(O)CCF M10011311P [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 O=C(O)CCO M10012525P [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 O=C([O-])CNC M10061947P [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 O=[N+](CCO)[O-] M10016784P [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 C=CC(O)CC M10016219P [1,0,0,0,0,0|0,1,1]=3 47 B5R0.3 C=C[C@H](O)CO M10361006P [1,0,0,0,0,0|1,1,1]=4 48 B5R0.3 CCC(Br)CC M10036560P [1,0,0,0,0,0|1,0,1]=3 49 B5R0.3 CCC(C)CBr M10114990P [1,0,0,0,0,0|2,0,1]=4 50 B5R0.3 CCC(C)CS M10037434P [1,0,0,0,0,0|1,1,1]=4 51 B5R0.3 CCC(C=O)=C M10023101P [1,0,0,0,0,0|1,0,1]=3 52 B5R0.3 CCC(N)CC M10016218P [1,0,0,0,0,0|1,0,1]=3 53 B5R0.3 CCC(N)CO M10120213P [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 CCC(NC)=O M10028553P [1,0,0,0,0,0|1,1,1]=4 55 B5R0.3 CCC([Mg]Br)C M10023104P [1,0,0,0,0,0|3,0,0]=4 56 B5R0.3 CCC([Mg]Cl)C M12278734P [1,0,0,0,0,0|3,0,0]=4 57 B5R0.3 CC[Al](Cl)CC M10002450P [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 O=C(OC)C=O M10023106P [1,0,0,0,0,0|1,1,1]=4 59 B5R0.5 CC(Br)C(Br)C M10073040P [1,0,0,0,0,0|2,0,1]=4 60 B5R0.5 CC(C(C)=C)=O M10021132P [1,0,0,0,0,0|1,0,1]=3 61 B5R0.5 CC(C([O-])=O)=C M10077430P [1,0,0,0,0,0|2,0,1]=4 62 B5R0.5 CC(C([O-])=O)=C M10097056P [1,0,0,0,0,0|2,0,1]=4 63 B5R0.5 CC(C)C([O-])=O M10209916P [1,0,0,0,0,0|2,0,0]=3 64 B5R0.5 CC(F)C(O)=O M10083620P [1,0,0,0,0,0|2,0,0]=3 65 B5R0.5 CC(S)C(C)C M10039796P [1,0,0,0,0,0|1,0,1]=3 66 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [1,0,0,0,0,0|2,0,0]=3 67 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [1,0,0,0,0,0|2,0,0]=3 68 B5R0.5 C[C@@H](O)C(O)=O M10114112P [1,0,0,0,0,0|1,1,0]=3 69 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [1,0,0,0,0,0|0,0,2]=3 70 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [1,0,0,0,0,0|0,1,2]=4 71 B5R0.5 C[C@H](Br)C(O)=O M10217830P [1,0,0,0,0,0|2,0,0]=3 72 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [1,0,0,0,0,0|0,1,2]=4 73 B5R0.5 O=C(C)C([O-])=O M10204094P [1,0,0,0,0,0|1,1,1]=4 74 B5R0.5 O=C(O)C(Br)Cl M10077985P [1,0,0,0,0,0|3,0,0]=4 75 B5R0.5 O=C([O-])C(Cl)Cl M10040578P [1,0,0,0,0,0|3,0,0]=4 76 B5R0.5 OC(C)C([O-])=O M10140216P [1,0,0,0,0,0|1,1,0]=3 77 B5R0.5 OC(C)C([O-])=O M10189588P [1,0,0,0,0,0|1,1,0]=3 78 B5R0.5 [O-]C(C)C([O-])=O M10249277P [1,0,0,0,0,0|1,1,0]=3 79 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,1,0,0,0,0|2,0,1]=4 80 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,1,0,0,0,0|2,0,1]=4 81 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,1,0,0,0,0|2,0,1]=4 82 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,1,0,0,0,0|0,1,1]=3 83 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,1,0,0,0,0|2,0,0]=3 84 B7R0.5 CCCC(C)C(O)=O M10209692P [0,1,0,0,0,0|2,0,0]=3 85 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,1,0,0,0,0|2,0,1]=4 86 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,1,0,0,0,0|2,0,0]=3 87 B7R0.5 O=C(O)C(F)CCN M10193859P [0,1,0,0,0,0|2,0,0]=3 88 B7R0.5 O=C(O)C(N)CCN M10024859P [0,1,0,0,0,0|2,0,0]=3 89 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,1,0,0,0,0|1,1,1]=4 90 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,1,0,0,0,0|2,0,0]=3 91 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,1,0,0,0,0|2,0,0]=3 92 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,1,0,0,0,0|2,0,0]=3 94 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,1,0,0,0,0|1,1,1]=4 95 B7R0.10 C=C(CBr)C(OC)=O M10061142P [0,1,0,0,0,0|2,0,1]=4 96 B7R0.10 C=C(CCl)C(OC)=O M10023089P [0,1,0,0,0,0|2,0,1]=4 97 B7R0.10 C=C(CO)C(OC)=O M10137156P [0,1,0,0,0,0|2,0,1]=4 98 B7R0.10 CCC(C)C(C)C=O M10218111P [0,1,0,0,0,0|1,0,1]=3 99 B7R0.10 N[C@@H](CCl)C(OC)=O M10147479P [0,1,0,0,0,0|2,0,0]=3 100 B7R0.10 O=C(N(OC)C)CCl M10425298P [0,1,0,0,0,0|3,0,0]=4 101 B7R0.10 O=C(NN)C(N)CO M10285009P [0,1,0,0,0,0|3,0,0]=4 102 B7R0.10 O=C(OC)C(Br)CBr M10035422P [0,1,0,0,0,0|2,0,0]=3 103 B7R0.10 O=C(OC)C(Cl)CCl M10056613P [0,1,0,0,0,0|2,0,0]=3 104 B7R0.10 O=C(OC)[C@@H](O)CO M10113922P [0,1,0,0,0,0|1,1,0]=3 105 B7R0.10 O=C(OC)[C@H](N)CCl M10682812P [0,1,0,0,0,0|2,0,0]=3 106 B7R0.10 O=C([C@@H](O)CO)CO M10013403P [0,1,0,0,0,0|1,1,0]=3 107 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [0,1,0,0,0,0|2,0,0]=3 108 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [0,1,0,0,0,0|2,0,0]=3 109 B7R0.13 N[C@@](CO)(C)C(O)=O M10482199P [0,1,0,0,0,0|3,0,0]=4 110 B7R0.13 O=C(N)C(C)(C)CN M10858578P [0,1,0,0,0,0|3,0,0]=4 111 B7R0.13 O=C(O)C(C)(C)CO M10066659P [0,1,0,0,0,0|3,0,0]=4 112 B7R0.13 O=C(O)C(F)(F)CN M11105330P [0,1,0,0,0,0|3,0,0]=4 113 B7R0.13 O=C(O)[C@@](C)(N)CO M10145330P [0,1,0,0,0,0|3,0,0]=4 114 B7R0.15 CC(N(CC)CC)=O M10018363P [0,1,0,0,0,0|2,0,0]=3 115 B7R0.15 O=C(O)C(CBr)CBr M10245960P [0,1,0,0,0,0|3,0,0]=4 116 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,0,0|2,0,1]=4 117 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,1,0,0,0,0|1,1,1]=4 118 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,1,0,0,0,0|1,1,1]=4 119 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,1,0,0,0,0|1,1,1]=4 120 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,1,0,0,0,0|2,0,0]=3 121 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,1,0,0,0,0|2,0,0]=3 122 B7R1.4 C=C1CCOC1=O M10013811P [0,0,0,1,0,0|2,0,1]=4 123 B7R1.4 CC1=CCCC1=O M10027183P [0,0,0,1,0,0|1,0,2]=4 124 B7R1.4 O=C1C(Br)CCC1 M10172483P [0,0,0,1,0,0|1,0,0]=2 125 B7R1.4 O=C1C(C)CCC1 M10027182P [0,0,0,1,0,0|1,0,0]=2 126 B7R1.4 O=C1C(Cl)CCC1 M10018599P [0,0,0,1,0,0|1,0,0]=2 127 B7R1.4 O=C1NCCC1O M10135336P [0,0,0,1,0,0|1,1,0]=3 128 B7R1.4 O=C1NCC[C@@H]1N M10060287P [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 O=C1NCC[C@@H]1N M10288485P [0,0,0,1,0,0|2,0,0]=3 130 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,0,0,1,0,0|1,1,0]=3 131 B7R1.4 O[C@@H]1[C@@H](N)CCC1 M10430095P [0,0,0,1,0,0|1,0,2]=4 132 B7R1.4 O[C@@H]1[C@H](N)CCC1 M10841437P [0,0,0,1,0,0|1,0,2]=4 133 B7R1.4 O[C@H]1[C@@H](N)CCC1 M10743008P [0,0,0,1,0,0|1,0,2]=4 134 B7R1.4 O[C@H]1[C@H](N)CCC1 M10215039P [0,0,0,1,0,0|1,0,2]=4 135 B7R1.4 O[C@H]1[C@H](N)CCC1 M10430096P [0,0,0,1,0,0|1,0,2]=4 136 B7R1.4 O[C@H]1[C@H](O)CCC1 M10192705P [0,0,0,1,0,0|0,1,2]=4 137 B7R1.18 N=C(C1CCC1)N M10444128P [0,0,0,1,0,0|3,0,0]=4 138 B7R1.18 O=C(C1NCC1)O M10164146P [0,0,0,1,0,0|2,0,0]=3 139 B7R1.18 O=C(C1OCC1)O M10006194P [0,0,0,1,0,0|1,1,0]=3 140 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,0,0,1,0,0|2,0,0]=3 141 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,0,0,1,0,0|2,0,0]=3 142 B7R1.19 O=C(C1(C)CC1)N M10139369P [0,0,0,1,0,0|2,0,0]=3 143 B7R0.2 CC(N)CC(C)CC M10003248P [0,0,0,0,0,1|2,0,1]=4 144 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,0,0,0,0,1|2,0,0]=3 145 B7R0.2 O=C(O)CC(O)CN M10190010P [0,0,0,0,0,1|2,1,0]=4 146 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,0,0,0,0,1|2,1,0]=4 147 B4R0.1 C=C(C)C=O M10001153P [2,0,0,0,0,0|1,0,1]=4 148 B4R0.1 C=C(C)CBr M10031081P [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 C=CC(Cl)C M10014214P [2,0,0,0,0,0|1,0,1]=4 150 B4R0.1 CC(Br)CCl M10050225P [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 CC(C)CI M10012803P [2,0,0,0,0,0|2,0,0]=4 152 B4R0.1 CC(CCl)=O M10001162P [2,0,0,0,0,0|1,0,0]=3 153 B4R0.1 CC(CN)=O M10110205P [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CC(O)C=C M10195978P [2,0,0,0,0,0|0,1,1]=4 155 B4R0.1 CC(O)CCl M10004741P [2,0,0,0,0,0|1,1,0]=4 156 B4R0.1 CC(SC)=O M10032388P [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 CCC(N)=S M10017126P [2,0,0,0,0,0|1,1,0]=4 158 B4R0.1 CCC([O-])=O M10205103P [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 CCN(C)C M10015350P [2,0,0,0,0,0|2,0,0]=4 160 B4R0.1 CNC(C)C M10065934P [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 C[C@@H](N)CC M10122112P [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 C[C@@H](N)CN M10162469P [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 C[C@@H](O)CC M10133832P [2,0,0,0,0,0|0,1,0]=3 164 B4R0.1 C\C(Br)=C\C M12004205P [2,0,0,0,0,0|1,0,1]=4 165 B4R0.1 NCC([O-])=O M10102492P [2,0,0,0,0,0|2,0,0]=4 166 B4R0.1 NCC([O-])=O M10164487P [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 NCC([O-])=O M10229094P [2,0,0,0,0,0|2,0,0]=4 168 B4R0.1 O=C(C)C=C M10001161P [2,0,0,0,0,0|0,0,2]=4 169 B4R0.1 O=C(Cl)CBr M10173456P [2,0,0,0,0,0|2,0,0]=4 170 B4R0.1 O=C(Cl)CF M10009145P [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 O=C(N)CF M10017415P [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 O=C(N)CN M10015343P [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 O=C([O-])CN M10133319P [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 O=C([O-])CO M10048155P [2,0,0,0,0,0|1,1,0]=4 175 B4R0.1 OC(C)C[O-] M12031334P [2,0,0,0,0,0|1,1,0]=4 176 B4R0.1 SCC([O-])=O M10194150P [2,0,0,0,0,0|1,0,0]=3 177 B4R0.1 SCC([O-])=O M12278138P [2,0,0,0,0,0|1,0,0]=3 178 B4R0.1 [Li]C(C)CC M10015338P [2,0,0,0,0,0|1,0,0]=3 179 B4R0.1 [NH-]CC(O)=O M12278746P [2,0,0,0,0,0|2,0,0]=4 180 B4R0.2 C(NCC)=O M10016925P [2,0,0,0,0,0|1,0,0]=3 181 B4R0.2 C=CCCCl M10023256P [2,0,0,0,0,0|1,0,1]=4 182 B4R0.2 C=CCCN M10044983P [2,0,0,0,0,0|1,0,1]=4 183 B4R0.2 C=CCOC M10016921P [2,0,0,0,0,0|1,0,1]=4 184 B4R0.2 CCCCN M10058158P [2,0,0,0,0,0|1,0,1]=4 185 B4R0.2 CCCC[O-] M10026120P [2,0,0,0,0,0|0,0,2]=4 186 B4R0.2 CCC[Mg]Cl M10041602P [2,0,0,0,0,0|2,0,0]=4 187 B4R0.2 CC[Zn]CC M10014098P [2,0,0,0,0,0|1,0,1]=4 188 B4R0.2 CSCCO M10070197P [2,0,0,0,0,0|2,0,0]=4 189 B4R0.2 CSCSC M10033691P [2,0,0,0,0,0|2,0,0]=4 190 B4R0.2 C\C=C\C=O M10004592P [2,0,0,0,0,0|0,0,2]=4 191 B4R0.2 C\C=C\CCl M10015079P [2,0,0,0,0,0|1,0,1]=4 192 B4R0.2 C\C=C\OC M10103777P [2,0,0,0,0,0|1,0,1]=4 193 B4R0.2 ClCCNC M10064229P [2,0,0,0,0,0|2,0,0]=4 194 B4R0.2 NCCOC M10003657P [2,0,0,0,0,0|2,0,0]=4 195 B6R0.1 C=CC(NCC)=O M10081542P [1,1,0,0,0,0|1,0,1]=4 196 B6R0.1 C=CC(OCC)=O M10186126P [1,1,0,0,0,0|1,0,1]=4 197 B6R0.1 CC#CC(OC)=O M10179372P [1,1,0,0,0,0|0,0,2]=4 198 B6R0.1 CCCC(C)C=O M10004549P [1,1,0,0,0,0|0,0,1]=3 199 B6R0.1 CCCC(NN)=O M10055378P [1,1,0,0,0,0|1,0,0]=3 200 B6R0.1 CCC[C@H](N)CO M10176483P [1,1,0,0,0,0|1,0,1]=4 201 B6R0.1 C\C=C\C(OC)=O M10156893P [1,1,0,0,0,0|0,0,2]=4 202 B6R0.1 O=C(C#N)OCC M10016649P [1,1,0,0,0,0|1,0,1]=4 203 B6R0.1 O=C(OC)CCN M10060379P [1,1,0,0,0,0|1,0,0]=3 204 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [1,1,0,0,0,0|1,0,1]=4 205 B6R0.1 O=C(OCC)CBr M10003242P [1,1,0,0,0,0|1,0,0]=3 206 B6R0.1 O=C(OCC)CN M10011247P [1,1,0,0,0,0|1,0,0]=3 207 B6R0.2 CC(CC(C)=O)=O M10123299P [1,1,0,0,0,0|0,0,1]=3 208 B6R0.2 CC(N)CC(C)C M10444558P [1,1,0,0,0,0|1,0,1]=4 209 B6R0.2 CC(N)CC(O)=O M10187780P [1,1,0,0,0,0|1,0,0]=3 210 B6R0.2 CC(O)CC([O-])=O M10005658P [1,1,0,0,0,0|1,0,0]=3 211 B6R0.2 CC(OC(Br)C)=O M10242154P [1,1,0,0,0,0|1,0,0]=3 212 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,1,0,0,0,0|1,0,0]=3 213 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,1,0,0,0,0|1,0,0]=3 214 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,1,0,0,0,0|1,0,0]=3 215 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,1,0,0,0,0|1,0,0]=3 216 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,1,0,0,0,0|1,0,0]=3 217 B6R0.2 C[S+](CC([O-])=O)C M10065707P [1,1,0,0,0,0|2,0,0]=4 218 B6R0.2 NC(C)CC(C)C M10003493P [1,1,0,0,0,0|1,0,1]=4 219 B6R0.2 O=C([O-])CN(C)C M10154757P [1,1,0,0,0,0|2,0,0]=4 220 B6R0.4 C#CCCC(O)=O M10083651P [1,1,0,0,0,0|1,0,1]=4 221 B6R0.4 C=CCCC(Cl)=O M10240332P [1,1,0,0,0,0|1,0,1]=4 222 B6R0.4 CC(C)CCCBr M10016880P [1,1,0,0,0,0|1,0,1]=4 223 B6R0.4 CC(C)CCCO M10016881P [1,1,0,0,0,0|1,0,1]=4 224 B6R0.4 CC(CCC=C)=O M10003621P [1,1,0,0,0,0|0,0,1]=3 225 B6R0.4 CC(CCCBr)=O M10058337P [1,1,0,0,0,0|0,0,0]=2 226 B6R0.4 CC(NCCO)=O M10005418P [1,1,0,0,0,0|1,0,0]=3 227 B6R0.4 CC(O)CCCO M10016886P [1,1,0,0,0,0|0,0,2]=4 228 B6R0.4 CC(OCCO)=O M10013697P [1,1,0,0,0,0|1,0,0]=3 229 B6R0.4 CC\C=C\C(O)=O M10016889P [1,1,0,0,0,0|1,0,1]=4 230 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,1,0,0,0,0|1,0,1]=4 231 B6R0.4 CN(C)CCCBr M10273573P [1,1,0,0,0,0|2,0,0]=4 232 B6R0.4 CN(CCCCl)C M10003627P [1,1,0,0,0,0|2,0,0]=4 233 B6R0.4 CNCCN(C)C M10005417P [1,1,0,0,0,0|2,0,0]=4 234 B6R0.4 O=C(Cl)CCCBr M10023246P [1,1,0,0,0,0|1,0,0]=3 235 B6R0.4 O=C(Cl)OCCCl M10016902P [1,1,0,0,0,0|2,0,0]=4 236 B6R0.4 O=C(N)NCCO M10039744P [1,1,0,0,0,0|2,0,0]=4 237 B6R0.4 O=C(O)CCC#N M10140304P [1,1,0,0,0,0|1,0,1]=4 238 B6R0.4 O=C(O)CCCCl M10016891P [1,1,0,0,0,0|1,0,0]=3 239 B6R0.4 O=C(O)CCOC M10045190P [1,1,0,0,0,0|1,0,0]=3 240 B6R0.4 O=C(O)CCSC M10017612P [1,1,0,0,0,0|1,0,0]=3 241 B6R0.4 O=C(O)COCC M10016894P [1,1,0,0,0,0|1,0,0]=3 242 B6R0.4 O=C([O-])CNCO M10437440P [1,1,0,0,0,0|2,0,0]=4 243 B6R0.4 O=[Sn](CCCC)O M10042008P [1,1,0,0,0,0|2,0,0]=4 244 B6R0.4 S=C(N)NCCC M10023251P [1,1,0,0,0,0|1,1,0]=4 245 B6R0.5 CCCP(Cl)(Cl)=O M10065545P [1,1,0,0,0,0|2,0,0]=4 246 B6R0.5 CCC[N+](C)(C)C M10034255P [1,1,0,0,0,0|2,0,0]=4 247 B6R0.8 O=CC(C)(C)CO M10015286P [1,1,0,0,0,0|2,0,0]=4 248 B6R0.9 CCC(CC)C=O M10002597P [1,1,0,0,0,0|1,0,0]=3 249 B6R0.9 O=CN(CC)CC M10016308P [1,1,0,0,0,0|2,0,0]=4 250 B6R0.7 CC(C(C)(O)C)=O M10004002P [1,1,0,0,0,0|0,1,0]=3 251 B6R0.7 CC(C)(Br)C(Cl)=O M12277198P [1,1,0,0,0,0|2,0,0]=4 252 B6R0.7 CC(C)(Br)C(N)=O M10105866P [1,1,0,0,0,0|2,0,0]=4 253 B6R0.7 CC(C)(C)C(N)=O M10019870P [1,1,0,0,0,0|2,0,0]=4 254 B6R0.7 CC(C)(C)C([O-])=O M10179561P [1,1,0,0,0,0|2,0,0]=4 255 B6R0.7 CC(C)(Cl)C(O)=O M10015207P [1,1,0,0,0,0|2,0,0]=4 256 B6R0.7 CC(C)(F)C(O)=O M10396272P [1,1,0,0,0,0|2,0,0]=4 257 B6R0.7 CC(C)(S)C(O)=O M10065399P [1,1,0,0,0,0|1,0,0]=3 258 B6R0.7 CC(F)(F)C(O)=O M10009569P [1,1,0,0,0,0|2,0,0]=4 259 B6R0.7 CC(O)(C)C(N)=O M10119909P [1,1,0,0,0,0|1,1,0]=4 260 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,1,0,0,0,1|2,0,0]=4 261 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,1,0,0,0,1|2,0,0]=4 262 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,1,0,0,0,1|2,0,0]=4 263 B8R0.5 CC(OC(C)=O)COC M10497504P [0,1,0,0,0,1|1,0,0]=3 264 B8R0.19 CCC(CC(CC)=O)=O M10105284P [0,1,0,0,0,1|0,1,1]=4 265 B8R0.19 O=C(OC)CC(O)CCl M10115529P [0,1,0,0,0,1|1,1,0]=4 266 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [0,1,0,0,0,1|1,1,0]=4 267 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [0,1,0,0,0,1|1,1,0]=4 268 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [0,1,0,0,0,1|2,0,0]=4 269 B8R0.3 CCC(C(OCC)=O)=O M10139497P [0,2,0,0,0,0|0,1,1]=4 270 B8R0.3 CCCC(Br)C(OC)=O M10159141P [0,2,0,0,0,0|1,0,0]=3 271 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [0,2,0,0,0,0|1,0,0]=3 272 B8R0.3 N[C@H](CC)C(OCC)=O M10388706P [0,2,0,0,0,0|1,0,0]=3 273 B8R0.3 O=C(OC)C(Br)CCBr M10437848P [0,2,0,0,0,0|1,0,0]=3 274 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,2,0,0,0,0|2,0,0]=4 275 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,2,0,0,0,0|1,1,0]=4 276 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,2,0,0,0,0|2,0,0]=4 277 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,2,0,0,0,0|2,0,0]=4 278 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,2,0,0,0,0|1,1,0]=4 279 B8R0.13 O=C(OC)C(C)(C)CN M10188770P [0,2,0,0,0,0|2,0,0]=4 280 B8R0.13 O=C(OC)C(C)(C)CN M10805825P [0,2,0,0,0,0|2,0,0]=4 281 B8R0.13 O=C(OC)C(C)(C)CO M10128017P [0,2,0,0,0,0|2,0,0]=4 282 B8R0.36 CCC(C)(CC)C(O)=O M10163207P [0,2,0,0,0,0|2,0,0]=4 283 B8R0.37 CC(C)C(C)(N)C(N)=O M10244521P [0,2,0,0,0,0|2,0,0]=4 284 B8R0.37 CC(C)[C@@](C)(N)C(O)=O M10273652P [0,2,0,0,0,0|2,0,0]=4 285 B8R0.37 CC(C)[C@](C)(N)C(O)=O M10273653P [0,2,0,0,0,0|2,0,0]=4 286 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [0,2,0,0,0,0|2,0,0]=4 287 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [0,2,0,0,0,0|2,0,0]=4 288 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [0,2,0,0,0,0|2,0,0]=4 289 B8R0.27 N[C@@H](C(C)(C)C)C(N)=O M10458628P [0,2,0,0,0,0|2,0,0]=4 290 B8R0.18 O=C(C)C(CC)C([O-])=O M10207310P [0,2,0,0,0,0|0,1,0]=3 291 B6R1.2 CC1=NCCO1 M10027175P [1,0,0,1,0,0|1,0,1]=4 292 B6R1.2 CC1=NCCS1 M10042677P [1,0,0,1,0,0|1,1,0]=4 293 B6R1.2 C[C@H]1NCCC1 M10246674P [1,0,0,1,0,0|1,0,1]=4 294 B6R1.2 NC1=NCCC1 M10108538P [1,0,0,1,0,0|2,0,0]=4 295 B6R1.2 NN1CCCC1 M10143774P [1,0,0,1,0,0|2,0,0]=4 296 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,1,0,0|1,0,0]=3 297 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,1,0,0|1,0,0]=3 298 B6R1.2 O=C1NCNC1 M10035055P [1,0,0,1,0,0|2,0,0]=4 299 B6R1.2 O=C1NCNC1 M10140916P [1,0,0,1,0,0|2,0,0]=4 300 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,1,0,0|2,0,0]=4 301 B6R1.2 O=C1SCCN1 M10046694P [1,0,0,1,0,0|2,0,0]=4 302 B6R1.5 NC1CC(C)C1 M10568222P [1,0,0,1,0,0|1,0,1]=4 303 B6R1.10 NC1(C)CCC1 M10803200P [1,0,0,1,0,0|1,0,1]=4 304 B6R1.6 O=CC1CCC1 M10049905P [1,0,0,1,0,0|1,0,0]=3 305 B6R1.6 O=CC1COC1 M10128905P [1,0,0,1,0,0|2,0,0]=4 306 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,0,0,1,0,1|2,0,0]=4 307 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,0,0,1,0,1|2,0,0]=4 308 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,0,0,1,0,1|2,0,0]=4 309 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,0,0,1,0,1|2,0,0]=4 310 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,0,0,1,0,1|2,0,0]=4 311 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,0,1,0,1|2,0,0]=4 312 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,0,0,1,0,1|1,1,0]=4 313 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,0,0,1,0,1|1,1,0]=4 314 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [0,0,0,1,0,1|1,0,0]=3 315 B8R1.5 O=C1C(Br)COCC1 M10633741P [0,1,0,1,0,0|1,0,0]=3 316 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,1,0,1,0,0|1,0,0]=3 317 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [0,1,0,1,0,0|1,0,0]=3 318 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,1,0,1,0,0|1,0,0]=3 319 B8R1.7 CC(C1SCCN1)=O M10425066P [0,1,0,1,0,0|0,0,0]=2 320 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,1,0,1,0,0|0,1,0]=3 321 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,1,0,1,0,0|0,1,0]=3 322 B8R1.7 O=C(C1CNCC1)O M10088532P [0,1,0,1,0,0|2,0,0]=4 323 B8R1.7 O=C(C1CNCC1)O M10307067P [0,1,0,1,0,0|2,0,0]=4 324 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,1,0,1,0,0|1,1,0]=4 325 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,1,0,1,0,0|2,0,0]=4 326 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,1,0,1,0,0|1,1,0]=4 327 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,1,0,1,0,0|2,0,0]=4 328 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,1,0,1,0,0|2,0,0]=4 329 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,1,0,1,0,0|2,0,0]=4 330 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,1,0,1,0,0|2,0,0]=4 331 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,1,0,1,0,0|2,0,0]=4 332 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,1,0,1,0,0|2,0,0]=4 333 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,1,0,1,0,0|2,0,0]=4 334 B8R1.78 CC(C1(C)COC1)=O M11140046P [0,1,0,1,0,0|1,0,0]=3 335 B8R1.78 O=C(C1(N)CCC1)O M10174204P [0,1,0,1,0,0|2,0,0]=4 336 B8R1.78 O=C(C1(N)CCC1)O M10633940P [0,1,0,1,0,0|2,0,0]=4 337 B8R1.38 O=C(C1CCC1)NC M10122966P [0,1,0,1,0,0|1,0,0]=3 338 B8R1.38 O=C(C1CCC1)OC M10020178P [0,1,0,1,0,0|1,0,0]=3 339 B8R1.38 O=C(C1NCC1)OC M10199118P [0,1,0,1,0,0|1,0,0]=3 340 B8R1.38 O=C([C@H]1NCC1)OC M10435419P [0,1,0,1,0,0|1,0,0]=3 341 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [0,1,0,1,0,0|0,1,1]=4 342 B8R1.63 O=C(C1(C#N)CC1)O M10097174P [0,1,0,1,0,0|2,0,0]=4 343 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,1,0,1,0,0|2,0,0]=4 344 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,1,0,1,0,0|2,0,0]=4