0 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(N)CC(C)C M10444558P [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 CC(N)CC(O)=O M10187780P [0,0,0,0,0,0|1,0,0]=1 3 B6R0.2 CC(NC(C)C)C M10017887P [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 CC(O)CC([O-])=O M10005658P [0,0,0,0,0,0|1,0,1]=2 5 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 CN(C)CN(C)C M10000175P [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,0,0,0,0|1,0,0]=1 8 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,0,0,0,0,0|1,0,1]=2 9 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,0,0,0,0,0|1,0,0]=1 10 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,0,0,0,0,0|1,0,0]=1 11 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,0,0,0,0|1,0,0]=1 12 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,0,0,0,0,0|1,0,1]=2 13 B6R0.2 NC(C)CC(C)C M10003493P [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,0,0|1,0,2]=3 15 B6R0.2 O=C(N)CC(N)=N M10224228P [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 O=C([O-])CN(C)C M10154757P [0,0,0,0,0,0|1,0,1]=2 17 B5R0.1 C=C(OCC)C M10023218P [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 C=COC(C)C M10023217P [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CC(C)CCI M10013642P [1,0,0,0,0,0|1,0,1]=3 20 B5R0.1 CC(C)C[Mg]Br M10023214P [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(CC#N)=O M10044340P [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CC(CCCl)=O M10089400P [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(COC)=O M10081509P [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CC(N)CCC M10393249P [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CC(N)CCO M10048445P [1,0,0,0,0,0|1,0,1]=3 26 B5R0.1 CC(OC=O)=O M10041862P [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 CC(OCC)=N M10041195P [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 CSCS(C)=O M10220911P [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 C[C@@H](N)CCO M10335804P [1,0,0,0,0,0|1,0,1]=3 30 B5R0.1 C[C@@H](O)CC#N M10720686P [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 C[C@@H](O)COC M10067779P [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 C[C@H](N)CCO M10335803P [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 C[C@H](O)CC#N M10717808P [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|2,0,1]=4 35 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,0,0,0,0,0|1,0,2]=4 36 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,0,0,0,0,0|1,0,2]=4 37 B5R0.1 ClCOC(C)=O M10016791P [1,0,0,0,0,0|3,0,0]=4 38 B5R0.1 N#CCN(C)C M10023216P [1,0,0,0,0,0|2,0,1]=4 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|2,0,1]=4 41 B5R0.1 NNCC(C)C M10843147P [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 O=C(Cl)OCCl M10173503P [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 O=C(O)CCF M10011311P [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 O=C(O)CCO M10012525P [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 O=C([O-])CNC M10061947P [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 O=NOC(C)C M10013647P [1,0,0,0,0,0|2,0,0]=3 47 B5R0.1 O=[N+](CCO)[O-] M10016784P [1,0,0,0,0,0|2,0,1]=4 48 B7R0.2 CC(CN(C)C)CCl M10191746P [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 CC(N)CC(C)CC M10003248P [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CC(N)CC(OC)=O M10083532P [0,1,0,0,0,0|1,0,0]=2 51 B7R0.2 CC(O)CC(OC)=O M10031579P [0,1,0,0,0,0|1,0,0]=2 52 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,1,0,0,0,0|1,0,0]=2 53 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,1,0,0,0,0|2,0,0]=3 54 B7R0.2 O=C(NC(C)C)CBr M10460688P [0,1,0,0,0,0|2,0,0]=3 55 B7R0.2 O=C(NC(C)C)CN M10428027P [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 O=C(O)CC(O)CN M10190010P [0,1,0,0,0,0|1,0,0]=2 57 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,1,0,0,0,0|1,0,0]=2 58 B7R0.2 O=C(OC(C)C)CCl M10003254P [0,1,0,0,0,0|2,0,0]=3 59 B7R0.2 O=C(OC)C[N+]([O-])=O M10044460P [0,1,0,0,0,0|3,0,0]=4 60 B7R0.2 OCC(O)CN(C)C M10016656P [0,1,0,0,0,0|1,0,2]=4 61 B7R0.2 OCC(OC(C)C)=O M10016659P [0,1,0,0,0,0|1,0,0]=2 62 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,1,0,0,0,0|2,0,0]=3 63 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,1,0,0,0,0|0,0,0]=1 64 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,1,0,0,0,0|0,0,0]=1 65 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,1,0,0,0,0|0,0,0]=1 66 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [0,1,0,0,0,0|0,0,1]=2 67 B7R0.9 CC(C)=CC(C)(C)C M10003432P [0,1,0,0,0,0|2,0,1]=4 68 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,1,0,0,0,0|1,0,0]=2 69 B7R0.9 C[N+](C)(CC(O)C)C M10387811P [0,1,0,0,0,0|2,0,1]=4 70 B7R0.9 O=C([O-])C[N+](C)(C)C M10015014P [0,1,0,0,0,0|1,0,1]=3 71 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,0,0|1,0,1]=3 72 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,1,0,0,0,0|0,0,1]=2 73 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,1,0,0,0,0|0,0,2]=3 74 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,1,0,0,0,0|0,0,2]=3 75 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,1,0,0,0,0|1,0,0]=2 76 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,1,0,0,0,0|0,0,0]=1 77 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,1,0,0,0,0|2,0,1]=4 78 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [0,1,0,0,0,0|1,0,1]=3 79 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,1,0,0,0,0|2,0,1]=4 80 B7R1.2 CC1OS(OC1)=O M10031271P [0,0,0,1,0,0|2,0,0]=3 81 B7R1.2 CN1C[C@H](O)CC1 M10655228P [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,0,0,1,0,0|1,0,0]=2 83 B7R1.2 O=C1CC(CC1)=O M10058164P [0,0,0,1,0,0|2,0,1]=4 84 B7R1.2 O=C1CN(C)CC1 M10472463P [0,0,0,1,0,0|2,0,0]=3 85 B7R1.2 O=C1OC(CO1)C M10003516P [0,0,0,1,0,0|1,0,0]=2 86 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 O=C1OCC(F)O1 M10694293P [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,0,0,1,0,0|1,0,0]=2 89 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,0,0,1,0,0|1,0,0]=2 90 B7R1.2 OC1CC(N)CC1 M10107887P [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 OC1CC(N)CC1 M10126049P [0,0,0,1,0,0|2,0,1]=4 92 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [0,0,0,1,0,0|2,0,1]=4 93 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [0,0,0,1,0,0|2,0,1]=4 94 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [0,0,0,1,0,0|2,0,1]=4 95 B5R0.5 C=C(F)C(O)=O M10010638P [0,0,0,0,1,0|1,0,2]=4 96 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,0,0,1,0|1,0,2]=4 97 B5R0.5 CC(C([O-])=O)=C M10077430P [0,0,0,0,1,0|0,0,3]=4 98 B5R0.5 CC(C([O-])=O)=C M10097056P [0,0,0,0,1,0|0,0,3]=4 99 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,0,0,1,0|0,0,1]=2 100 B5R0.5 CC(F)C(O)=O M10083620P [0,0,0,0,1,0|1,0,0]=2 101 B5R0.5 CC(S)C(C)C M10039796P [0,0,0,0,1,0|1,1,1]=4 102 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,0,0,1,0|2,0,0]=3 103 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,0,0,1,0|1,0,0]=2 104 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,1,0|1,0,0]=2 105 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [0,0,0,0,1,0|2,0,1]=4 106 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [0,0,0,0,1,0|2,0,1]=4 107 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,0,0,1,0|1,0,0]=2 108 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [0,0,0,0,1,0|2,0,1]=4 109 B5R0.5 O=C(C)C([O-])=O M10204094P [0,0,0,0,1,0|1,0,2]=4 110 B5R0.5 O=C(O)C(Br)Cl M10077985P [0,0,0,0,1,0|2,0,0]=3 111 B5R0.5 O=C(O)C(O)=O M10094285P [0,0,0,0,1,0|2,0,1]=4 112 B5R0.5 O=C([O-])C(Cl)Cl M10040578P [0,0,0,0,1,0|2,0,1]=4 113 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,0,0,1,0|1,0,1]=3 114 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,0,0,1,0|1,0,1]=3 115 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,0,0,1,0|1,0,1]=3 116 B5R0.5 [S-]C(N(C)C)=S M10005183P [0,0,0,0,1,0|1,2,0]=4 117 B5R0.5 [S-]C(N(C)C)=S M10010846P [0,0,0,0,1,0|1,2,0]=4 118 B5R0.5 [S-]C(N(C)C)=S M10131431P [0,0,0,0,1,0|1,2,0]=4 119 B7R0.6 CC(C)CCB(O)O M10634235P [0,0,0,0,0,1|1,0,1]=3 120 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,0,0,0,0,1|0,0,1]=2 121 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,0,1|1,0,2]=4 122 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,0,0,0,0,1|2,0,1]=4 123 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,0,0,0,0,1|1,0,0]=2 124 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,0,1|1,0,2]=4 125 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,0,0,0,0,1|1,0,0]=2 126 B7R0.6 O=C(O)CCN(C)C M10133339P [0,0,0,0,0,1|1,0,0]=2 127 B4R0.1 C=C(C)C=O M10001153P [2,0,0,0,0,0|0,0,2]=4 128 B4R0.1 C=CC(Cl)C M10014214P [2,0,0,0,0,0|1,0,1]=4 129 B4R0.1 CC(Br)CCl M10050225P [2,0,0,0,0,0|2,0,0]=4 130 B4R0.1 CC(C)=CBr M10050220P [2,0,0,0,0,0|1,0,1]=4 131 B4R0.1 CC(C)CI M10012803P [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 CC(CCl)=O M10001162P [2,0,0,0,0,0|2,0,0]=4 133 B4R0.1 CC(CN)=O M10110205P [2,0,0,0,0,0|2,0,0]=4 134 B4R0.1 CC(O)C=C M10195978P [2,0,0,0,0,0|1,0,1]=4 135 B4R0.1 CC(O)CCl M10004741P [2,0,0,0,0,0|2,0,0]=4 136 B4R0.1 CC(SC)=O M10032388P [2,0,0,0,0,0|2,0,0]=4 137 B4R0.1 CCC(N)=S M10017126P [2,0,0,0,0,0|1,1,0]=4 138 B4R0.1 CCC([O-])=O M10205103P [2,0,0,0,0,0|0,0,1]=3 139 B4R0.1 CCN(C)C M10015350P [2,0,0,0,0,0|1,0,1]=4 140 B4R0.1 CNC(C)C M10065934P [2,0,0,0,0,0|1,0,1]=4 141 B4R0.1 C[C@@H](N)CC M10122112P [2,0,0,0,0,0|1,0,1]=4 142 B4R0.1 C[C@@H](N)CN M10162469P [2,0,0,0,0,0|2,0,0]=4 143 B4R0.1 C[C@@H](O)CC M10133832P [2,0,0,0,0,0|1,0,1]=4 144 B4R0.1 NCC([O-])=O M10102492P [2,0,0,0,0,0|1,0,1]=4 145 B4R0.1 NCC([O-])=O M10164487P [2,0,0,0,0,0|1,0,1]=4 146 B4R0.1 NCC([O-])=O M10229094P [2,0,0,0,0,0|1,0,1]=4 147 B4R0.1 O=C(Cl)CBr M10173456P [2,0,0,0,0,0|2,0,0]=4 148 B4R0.1 O=C(Cl)CF M10009145P [2,0,0,0,0,0|2,0,0]=4 149 B4R0.1 O=C(N)CF M10017415P [2,0,0,0,0,0|2,0,0]=4 150 B4R0.1 O=C(N)CN M10015343P [2,0,0,0,0,0|2,0,0]=4 151 B4R0.1 O=C([O-])CN M10133319P [2,0,0,0,0,0|1,0,1]=4 152 B4R0.1 O=C([O-])CO M10048155P [2,0,0,0,0,0|1,0,1]=4 153 B4R0.1 OC(C)C[O-] M12031334P [2,0,0,0,0,0|1,0,1]=4 154 B4R0.1 ONC(C)C M10255095P [2,0,0,0,0,0|1,0,0]=3 155 B4R0.1 SCC([O-])=O M10194150P [2,0,0,0,0,0|1,0,1]=4 156 B4R0.1 SCC([O-])=O M12278138P [2,0,0,0,0,0|1,0,1]=4 157 B4R0.1 [Li]C(C)CC M10015338P [2,0,0,0,0,0|1,0,1]=4 158 B4R0.1 [Mg](Br)C(C)C M10023048P [2,0,0,0,0,0|2,0,0]=4 159 B4R0.1 [NH-]CC(O)=O M12278746P [2,0,0,0,0,0|1,0,0]=3 160 B4R0.2 C(NCC)=O M10016925P [2,0,0,0,0,0|1,0,0]=3 161 B4R0.2 C=CCCCl M10023256P [2,0,0,0,0,0|2,0,0]=4 162 B4R0.2 C=CCCN M10044983P [2,0,0,0,0,0|2,0,0]=4 163 B4R0.2 C=CCOC M10016921P [2,0,0,0,0,0|2,0,0]=4 164 B4R0.2 CCCCN M10058158P [2,0,0,0,0,0|1,0,1]=4 165 B4R0.2 CCCC[O-] M10026120P [2,0,0,0,0,0|0,0,2]=4 166 B4R0.2 CCC[Mg]Cl M10041602P [2,0,0,0,0,0|2,0,0]=4 167 B4R0.2 CSCCO M10070197P [2,0,0,0,0,0|1,0,1]=4 168 B4R0.2 C\C=C\C=O M10004592P [2,0,0,0,0,0|0,0,2]=4 169 B4R0.2 OCCCF M10011351P [2,0,0,0,0,0|1,0,1]=4 170 B6R0.1 C=CC(NCC)=O M10081542P [1,1,0,0,0,0|2,0,0]=4 171 B6R0.1 C=CC(O)CCC M10066392P [1,1,0,0,0,0|1,0,1]=4 172 B6R0.1 C=CC(OCC)=O M10186126P [1,1,0,0,0,0|2,0,0]=4 173 B6R0.1 CC#CC(OC)=O M10179372P [1,1,0,0,0,0|0,0,2]=4 174 B6R0.1 CC(OC)CCO M10044895P [1,1,0,0,0,0|0,0,1]=3 175 B6R0.1 CC(OC)COC M10110559P [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 CCCC(C)C=O M10004549P [1,1,0,0,0,0|1,0,1]=4 177 B6R0.1 CCCC(NN)=O M10055378P [1,1,0,0,0,0|1,0,0]=3 178 B6R0.1 CCC[C@H](N)CO M10176483P [1,1,0,0,0,0|1,0,1]=4 179 B6R0.1 C\C=C\C(OC)=O M10156893P [1,1,0,0,0,0|0,0,2]=4 180 B6R0.1 NCC(C)CCN M10137967P [1,1,0,0,0,0|1,0,1]=4 181 B6R0.1 O=C(C#N)OCC M10016649P [1,1,0,0,0,0|2,0,0]=4 182 B6R0.1 O=C(OC)CCN M10060379P [1,1,0,0,0,0|1,0,0]=3 183 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [1,1,0,0,0,0|1,0,1]=4 184 B6R0.1 O=C(OCC)CBr M10003242P [1,1,0,0,0,0|2,0,0]=4 185 B6R0.1 O=C(OCC)CN M10011247P [1,1,0,0,0,0|2,0,0]=4 186 B6R0.3 C=C(CBr)C(O)=O M10448395P [1,1,0,0,0,0|1,0,1]=4 187 B6R0.3 CC(C(S)CC)=O M10426560P [1,1,0,0,0,0|1,0,0]=3 188 B6R0.3 CC(NC)C(O)=O M10015418P [1,1,0,0,0,0|1,0,0]=3 189 B6R0.3 CC(OC)C(O)=O M10062023P [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 CCC(B(O)O)C M10538835P [1,1,0,0,0,0|1,0,1]=4 191 B6R0.3 CCC(Br)C(Br)=O M10192304P [1,1,0,0,0,0|1,0,0]=3 192 B6R0.3 CCC(C(O)=O)=C M10055842P [1,1,0,0,0,0|0,0,1]=3 193 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [1,1,0,0,0,0|1,0,0]=3 194 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,1,0,0,0,0|0,0,2]=4 195 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [1,1,0,0,0,0|1,0,0]=3 196 B6R0.3 N[C@H](CS)C(O)=O M10832565P [1,1,0,0,0,0|1,0,0]=3 197 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [1,1,0,0,0,0|2,0,0]=4 198 B6R0.3 O=C(O)C(N)CS M10631134P [1,1,0,0,0,0|1,0,0]=3 199 B6R0.3 O=C(O)C(O)CCl M10035208P [1,1,0,0,0,0|1,0,0]=3 200 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 C#CCCC(O)=O M10083651P [1,1,0,0,0,0|0,0,1]=3 202 B6R0.4 C=CCCC(Cl)=O M10240332P [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 CC(C)CCC=O M10027096P [1,1,0,0,0,0|0,0,0]=2 204 B6R0.4 CC(C)CCCBr M10016880P [1,1,0,0,0,0|1,0,1]=4 205 B6R0.4 CC(C)CCCO M10016881P [1,1,0,0,0,0|0,0,1]=3 206 B6R0.4 CC(C)CN=C=O M10037383P [1,1,0,0,0,0|0,0,1]=3 207 B6R0.4 CC(CCC=C)=O M10003621P [1,1,0,0,0,0|1,0,1]=4 208 B6R0.4 CC(CCCBr)=O M10058337P [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 CC(NCCCl)C M10088269P [1,1,0,0,0,0|1,0,1]=4 210 B6R0.4 CC(NCCO)=O M10005418P [1,1,0,0,0,0|2,0,0]=4 211 B6R0.4 CC(O)CCCO M10016886P [1,1,0,0,0,0|1,0,1]=4 212 B6R0.4 CC(OCCBr)C M10275026P [1,1,0,0,0,0|1,0,1]=4 213 B6R0.4 CC(OCCO)=O M10013697P [1,1,0,0,0,0|2,0,0]=4 214 B6R0.4 CC\C=C\C(O)=O M10016889P [1,1,0,0,0,0|0,0,1]=3 215 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,1,0,0,0,0|0,0,2]=4 216 B6R0.4 O=C(Cl)CCCBr M10023246P [1,1,0,0,0,0|1,0,0]=3 217 B6R0.4 O=C(Cl)OCCCl M10016902P [1,1,0,0,0,0|2,0,0]=4 218 B6R0.4 O=C(N)NCCO M10039744P [1,1,0,0,0,0|2,0,0]=4 219 B6R0.4 O=C(O)CCC#N M10140304P [1,1,0,0,0,0|0,0,1]=3 220 B6R0.4 O=C(O)CCCCl M10016891P [1,1,0,0,0,0|0,0,0]=2 221 B6R0.4 O=C(O)CCOC M10045190P [1,1,0,0,0,0|0,0,0]=2 222 B6R0.4 O=C(O)CCSC M10017612P [1,1,0,0,0,0|0,0,0]=2 223 B6R0.4 O=C(O)COCC M10016894P [1,1,0,0,0,0|0,0,0]=2 224 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,1,0,0,0,0|0,0,2]=4 225 B6R0.4 O=C([O-])CNCO M10437440P [1,1,0,0,0,0|1,0,1]=4 226 B6R0.4 O=NOCC(C)C M10013695P [1,1,0,0,0,0|1,0,0]=3 227 B6R0.4 O=[Sn](CCCC)O M10042008P [1,1,0,0,0,0|1,0,0]=3 228 B6R0.4 S=C(N)NCCC M10023251P [1,1,0,0,0,0|1,1,0]=4 229 B6R0.5 C=CC[N+](C)(C)C M10050037P [1,1,0,0,0,0|2,0,0]=4 230 B6R0.5 CC(C)(C)CCO M10016750P [1,1,0,0,0,0|0,0,1]=3 231 B6R0.5 CC(C)(N)CCO M10249073P [1,1,0,0,0,0|0,0,1]=3 232 B6R0.5 CC(C)(OC=C)C M10023189P [1,1,0,0,0,0|2,0,0]=4 233 B6R0.5 CC(O)(C)CCBr M10229280P [1,1,0,0,0,0|1,0,1]=4 234 B6R0.5 CCCP(Cl)(Cl)=O M10065545P [1,1,0,0,0,0|2,0,0]=4 235 B6R0.5 C[N+](C)(CC=C)C M10180899P [1,1,0,0,0,0|2,0,0]=4 236 B6R0.5 NCCP(O)(O)=O M10039321P [1,1,0,0,0,0|2,0,0]=4 237 B6R0.5 O=CCC(F)(F)F M10011270P [1,1,0,0,0,0|2,0,0]=4 238 B6R0.5 OCCS(=O)(O)=O M10003429P [1,1,0,0,0,0|2,0,0]=4 239 B6R0.5 OCC[N+](C)(C)C M10004571P [1,1,0,0,0,0|1,0,1]=4 240 B6R0.5 OCC[N+](C)(C)C M10493787P [1,1,0,0,0,0|1,0,1]=4 241 B6R0.7 CC(C(C)(O)C)=O M10004002P [0,1,0,0,1,0|1,0,0]=3 242 B6R0.7 CC(C)(Br)C(Cl)=O M12277198P [0,1,0,0,1,0|1,0,0]=3 243 B6R0.7 CC(C)(Br)C(N)=O M10105866P [0,1,0,0,1,0|1,0,0]=3 244 B6R0.7 CC(C)(C)C(N)=O M10019870P [0,1,0,0,1,0|1,0,0]=3 245 B6R0.7 CC(C)(C)C([O-])=O M10179561P [0,1,0,0,1,0|0,0,1]=3 246 B6R0.7 CC(C)(Cl)C(O)=O M10015207P [0,1,0,0,1,0|0,0,0]=2 247 B6R0.7 CC(C)(F)C(O)=O M10396272P [0,1,0,0,1,0|0,0,0]=2 248 B6R0.7 CC(C)(S)C(O)=O M10065399P [0,1,0,0,1,0|0,0,0]=2 249 B6R0.7 CC(F)(F)C(O)=O M10009569P [0,1,0,0,1,0|1,0,0]=3 250 B6R0.7 CC(O)(C)C(N)=O M10119909P [0,1,0,0,1,0|1,0,0]=3 251 B6R0.7 O=C(O)C(Br)(Br)Br M10000934P [0,1,0,0,1,0|2,0,0]=4 252 B6R0.7 OC(C(F)(F)C)=S M10491979P [0,1,0,0,1,0|1,1,0]=4 253 B8R0.9 C=CC(OCC(O)C)=O M10024755P [0,1,0,0,0,1|2,0,0]=4 254 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,1|1,0,1]=4 255 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,0,0,0,1|1,0,1]=4 256 B8R0.9 OCC(O)CNC(C)C M10092153P [0,1,0,0,0,1|0,0,2]=4 257 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,0,0,0,1|1,0,0]=3 258 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,0,1|1,0,0]=3 259 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,1,0,0,0,1|0,0,1]=3 260 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,1,0,0,0,1|0,0,0]=2 261 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,1,0,0,0,1|0,0,0]=2 262 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,1,0,0,0,1|2,0,0]=4 263 B8R0.29 CC(NOC(C)=O)(C)C M10999973P [0,1,0,0,0,1|2,0,0]=4 264 B8R0.29 O=C(O)CCC(F)(F)F M10010362P [0,1,0,0,0,1|2,0,0]=4 265 B8R0.29 O=C(O)CCS(=O)(C)=O M10017606P [0,1,0,0,0,1|2,0,0]=4 266 B8R0.29 O=C(O)CNC(C)(C)C M10097629P [0,1,0,0,0,1|0,0,0]=2 267 B8R0.29 O=C(O)CNC(C)(C)C M10301470P [0,1,0,0,0,1|0,0,0]=2 268 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,2,0,0,0,0|0,0,2]=4 269 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,2,0,0,0,0|0,0,0]=2 270 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,2,0,0,0,0|1,0,0]=3 271 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O M10120046P [0,2,0,0,0,0|1,0,1]=4 272 B8R0.2 C[C@H](O)[C@@H](N)C(OC)=O M10315071P [0,2,0,0,0,0|1,0,0]=3 273 B8R0.2 N[C@H](C(C)C)C(OC)=O M10013347P [0,2,0,0,0,0|0,0,0]=2 274 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO M10954945P [0,2,0,0,0,0|1,0,1]=4 275 B8R0.5 CC(N)CC(OCC)=O M10070569P [0,2,0,0,0,0|1,0,0]=3 276 B8R0.5 CC(OC(C)=O)COC M10497504P [0,2,0,0,0,0|2,0,0]=4 277 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [0,2,0,0,0,0|1,0,0]=3 278 B8R0.19 O=C(OC)CC(O)CCl M10115529P [0,2,0,0,0,0|1,0,0]=3 279 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [0,2,0,0,0,0|1,0,0]=3 280 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [0,2,0,0,0,0|1,0,0]=3 281 B8R0.24 C=CC(NC(C)(C)C)=O M10003449P [0,2,0,0,0,0|2,0,0]=4 282 B8R0.24 O=C(OC(C)(C)C)CN M10092202P [0,2,0,0,0,0|2,0,0]=4 283 B8R0.24 O=C(OC(C)(C)C)CO M10254830P [0,2,0,0,0,0|1,0,0]=3 284 B8R0.24 O=C(OC(C)(C)C)NC M10140415P [0,2,0,0,0,0|2,0,0]=4 285 B8R0.34 C#CC(O)(C)CC(C)C M10003445P [0,2,0,0,0,0|1,0,1]=4 286 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [0,2,0,0,0,0|1,0,0]=3 287 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [0,2,0,0,0,0|0,0,0]=2 288 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [0,2,0,0,0,0|0,0,0]=2 289 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [0,2,0,0,0,0|0,0,0]=2 290 B8R0.27 N[C@@H](C(C)(C)C)C(N)=O M10458628P [0,2,0,0,0,0|1,0,0]=3 291 B8R0.27 O=C(O)C(N)C(F)(F)F M10628470P [0,2,0,0,0,0|2,0,0]=4 292 B8R0.37 CC(C)C(C)(N)C(N)=O M10244521P [0,2,0,0,0,0|1,0,0]=3 293 B8R0.37 CC(C)[C@@](C)(N)C(O)=O M10273652P [0,2,0,0,0,0|0,0,0]=2 294 B8R0.37 CC(C)[C@](C)(N)C(O)=O M10273653P [0,2,0,0,0,0|0,0,0]=2 295 B6R1.2 BrC1COCC1 M10160220P [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 CC1=NCCO1 M10027175P [1,0,0,1,0,0|2,0,0]=4 297 B6R1.2 NC1=NCCC1 M10108538P [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 NC1CC=CC1 M10604219P [1,0,0,1,0,0|2,0,0]=4 299 B6R1.2 NC1COCC1 M10544670P [1,0,0,1,0,0|1,0,1]=4 300 B6R1.2 NC1COCC1 M10831251P [1,0,0,1,0,0|1,0,1]=4 301 B6R1.2 N[C@@H]1COCC1 M10654784P [1,0,0,1,0,0|1,0,1]=4 302 B6R1.2 N[C@@H]1COCC1 M10831252P [1,0,0,1,0,0|1,0,1]=4 303 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,1,0,0|2,0,0]=4 304 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,1,0,0|2,0,0]=4 305 B6R1.2 O=C1NCNC1 M10035055P [1,0,0,1,0,0|2,0,0]=4 306 B6R1.2 O=C1NCNC1 M10140916P [1,0,0,1,0,0|2,0,0]=4 307 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,1,0,0|1,0,0]=3 308 B6R1.2 O=C1SCCN1 M10046694P [1,0,0,1,0,0|1,1,0]=4 309 B6R1.2 O=S1OCCO1 M10057276P [1,0,0,1,0,0|2,0,0]=4 310 B6R1.2 OC1CC=CC1 M10130348P [1,0,0,1,0,0|2,0,0]=4 311 B6R1.2 O[C@H]1COCC1 M10505325P [1,0,0,1,0,0|1,0,1]=4 312 B6R1.5 NC1CC(C)C1 M10568222P [1,0,0,1,0,0|1,0,1]=4 313 B6R1.5 OC1CC(N)C1 M10095936P [1,0,0,1,0,0|1,0,1]=4 314 B6R1.5 OC1CN(C)C1 M10676745P [1,0,0,1,0,0|1,0,1]=4 315 B6R1.5 O[C@H]1C[C@H](N)C1 M11112696P [1,0,0,1,0,0|1,0,1]=4 316 B8R1.3 OC1CCC(C)CC1 M10014985P [0,0,0,1,0,1|1,0,1]=4 317 B8R1.3 O[C@H]1CC[C@H](C)CC1 M10110148P [0,0,0,1,0,1|1,0,1]=4 318 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,0,0,1,0,1|2,0,0]=4 319 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,0,0,1,0,1|0,0,0]=2 320 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,0,0,1,0,1|1,0,0]=3 321 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,1,0,1|1,0,1]=4 322 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,0,0,1,0,1|1,0,0]=3 323 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,0,0,1,0,1|1,0,0]=3 324 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,0,0,1,0,1|1,0,0]=3 325 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,0,0,1,0,1|1,0,0]=3 326 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,0,0,1,0,1|0,0,0]=2 327 B8R1.77 O=C(C1C(F)(F)C1)O M10667522P [0,0,0,1,0,1|2,0,0]=4 328 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,0,0,1,0,1|0,0,0]=2 329 B8R1.1 O=C1NCC(CN)C1 M10938946P [0,1,0,1,0,0|1,0,0]=3 330 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,1,0,1,0,0|2,0,0]=4 331 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,1,0,1,0,0|2,0,0]=4 332 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,1,0,1,0,0|2,0,0]=4 333 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,1,0,1,0,0|2,0,0]=4 334 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,1,0,1,0,0|1,0,0]=3 335 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,1,0,1,0,0|2,0,0]=4 336 B8R1.4 O=C1CC(COC1)=O M10331423P [0,1,0,1,0,0|1,0,1]=4 337 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,1,0,1,0,0|2,0,0]=4 338 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,1,0,1,0,0|2,0,0]=4 339 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,1,0,1,0,0|2,0,0]=4 340 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,1,0,1,0,0|2,0,0]=4 341 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [0,1,0,1,0,0|1,0,0]=3 342 B8R1.18 O=C1OC(O)C(C)=C1 M10244090P [0,1,0,1,0,0|0,0,2]=4 343 B8R1.21 C[C@H]1[C@@H](P(O)(O)=O)O1 M10473654P [0,1,0,1,0,0|2,0,0]=4 344 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [0,1,0,1,0,0|1,0,1]=4 345 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [0,1,0,1,0,0|0,0,1]=3 346 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,0,0,0,0,2|1,0,1]=4 347 B8R0.28 CC(OCC=C(C)C)=O M10028659P [0,0,0,0,0,2|1,0,1]=4 348 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,0,0,0,0,2|1,0,0]=3 349 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,0,0,0,0,2|1,0,0]=3