0 B5R0.5 C=C(F)C(O)=O M10010638P [0,0,0,0,0,0|1,0,1]=2 1 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,0,0,0,0|2,0,0]=2 2 B5R0.5 CC(C([O-])=O)=C M10077430P [0,0,0,0,0,0|1,0,1]=2 3 B5R0.5 CC(C([O-])=O)=C M10097056P [0,0,0,0,0,0|1,0,1]=2 4 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,0,0,0,0|1,0,2]=3 5 B5R0.5 CC(F)C(O)=O M10083620P [0,0,0,0,0,0|1,0,1]=2 6 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,0,0,0,0|2,0,1]=3 7 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,0,0,0,0|1,0,1]=2 8 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,0,0|0,0,2]=2 9 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [0,0,0,0,0,0|1,1,2]=4 10 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [0,0,0,0,0,0|1,0,3]=4 11 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,0,0,0,0|1,0,1]=2 12 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [0,0,0,0,0,0|1,0,3]=4 13 B5R0.5 FC(F)=C(Cl)Cl M10001194P [0,0,0,0,0,0|4,0,0]=4 14 B5R0.5 FC(F)=C(Cl)F M10203675P [0,0,0,0,0,0|4,0,0]=4 15 B5R0.5 O=C(C)C([O-])=O M10204094P [0,0,0,0,0,0|0,0,1]=1 16 B5R0.5 O=C(O)C(Br)Cl M10077985P [0,0,0,0,0,0|2,0,1]=3 17 B5R0.5 O=C(O)C(O)=O M10094285P [0,0,0,0,0,0|1,0,0]=1 18 B5R0.5 O=C([O-])C(Cl)Cl M10040578P [0,0,0,0,0,0|2,0,2]=4 19 B5R0.5 O=C([O-])C([O-])=O M10013989P [0,0,0,0,0,0|1,0,1]=2 20 B5R0.5 O=C([O-])C([O-])=O M10082392P [0,0,0,0,0,0|1,0,1]=2 21 B5R0.5 O=C([O-])C([O-])=O M10193068P [0,0,0,0,0,0|1,0,1]=2 22 B5R0.5 O=C([O-])C([O-])=O M10211923P [0,0,0,0,0,0|1,0,1]=2 23 B5R0.5 O=C([O-])C([O-])=O M10271683P [0,0,0,0,0,0|1,0,1]=2 24 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,0,0,0,0|0,0,3]=3 25 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,0,0,0,0|0,0,3]=3 26 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,0,0,0,0|0,0,3]=3 27 B5R0.5 [S-]C(N(C)C)=S M10005183P [0,0,0,0,0,0|2,2,0]=4 28 B5R0.5 [S-]C(N(C)C)=S M10010846P [0,0,0,0,0,0|2,2,0]=4 29 B5R0.5 [S-]C(N(C)C)=S M10131431P [0,0,0,0,0,0|2,2,0]=4 30 B4R0.1 BrC(Br)=NO M10454865P [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C#CC(N)=O M10104034P [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C=C(Br)CO M10015330P [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C=C(C)C=O M10001153P [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 C=C(C)CBr M10031081P [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 C=CC(Cl)C M10014214P [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C=CC([O-])=O M10105582P [1,0,0,0,0,0|0,0,2]=3 37 B4R0.1 C=CC([O-])=O M10132485P [1,0,0,0,0,0|0,0,2]=3 38 B4R0.1 C=C[N+]([O-])=O M10056294P [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 CC(C)=CBr M10050220P [1,0,0,0,0,0|2,0,0]=3 40 B4R0.1 CC(CCl)=O M10001162P [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(CN)=O M10110205P [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(O)C=C M10195978P [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CC(SC)=O M10032388P [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CCC(N)=S M10017126P [1,0,0,0,0,0|1,1,1]=4 45 B4R0.1 CCC([O-])=O M10205103P [1,0,0,0,0,0|0,0,2]=3 46 B4R0.1 C[C@@H](O)CC M10133832P [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 C\C(Br)=C\C M12004205P [1,0,0,0,0,0|2,0,0]=3 48 B4R0.1 C\C(N)=N\O M10173143P [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 NC(NC)=N M10171679P [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 NC(NC)=N M10176185P [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 NC(SC)=N M10131709P [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 NCC([O-])=O M10102492P [1,0,0,0,0,0|1,0,2]=4 53 B4R0.1 NCC([O-])=O M10164487P [1,0,0,0,0,0|1,0,2]=4 54 B4R0.1 NCC([O-])=O M10229094P [1,0,0,0,0,0|1,0,2]=4 55 B4R0.1 NNC(N)=O M10000401P [1,0,0,0,0,0|3,0,0]=4 56 B4R0.1 O=C(C)C=C M10001161P [1,0,0,0,0,0|1,0,0]=2 57 B4R0.1 O=C(Cl)CBr M10173456P [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 O=C(Cl)CF M10009145P [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 O=C(N)CF M10017415P [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 O=C(N)CN M10015343P [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 O=C([O-])CN M10133319P [1,0,0,0,0,0|1,0,2]=4 62 B4R0.1 O=C([O-])CO M10048155P [1,0,0,0,0,0|1,0,1]=3 63 B4R0.1 O=S(CO)[O-] M10005623P [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 O=S(CO)[O-] M10083044P [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 ONC(C)C M10255095P [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 S=C(N)NC M10015347P [1,0,0,0,0,0|2,1,0]=4 67 B4R0.1 SCC([O-])=O M10194150P [1,0,0,0,0,0|0,1,2]=4 68 B4R0.1 SCC([O-])=O M12278138P [1,0,0,0,0,0|0,1,2]=4 69 B4R0.1 [NH-]CC(O)=O M12278746P [1,0,0,0,0,0|1,0,1]=3 70 B6R0.3 C=C(C#N)C(O)=O M10138630P [0,1,0,0,0,0|1,0,1]=3 71 B6R0.3 C=C(CBr)C(O)=O M10448395P [0,1,0,0,0,0|1,0,0]=2 72 B6R0.3 C=C(F)C(OC)=O M10042642P [0,1,0,0,0,0|1,0,1]=3 73 B6R0.3 CC(C(CBr)=O)=O M10070633P [0,1,0,0,0,0|1,0,0]=2 74 B6R0.3 CC(C(NC)=O)=C M10058367P [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 CC(C(S)CC)=O M10426560P [0,1,0,0,0,0|1,1,1]=4 76 B6R0.3 CC(C)C(OC)=O M10013809P [0,1,0,0,0,0|1,0,1]=3 77 B6R0.3 CC(N(C)C=C)=O M10052111P [0,1,0,0,0,0|3,0,0]=4 78 B6R0.3 CC(NC)C(O)=O M10015418P [0,1,0,0,0,0|1,0,1]=3 79 B6R0.3 CC(O)C(OC)=O M10013810P [0,1,0,0,0,0|0,0,2]=3 80 B6R0.3 CC(OC)C(O)=O M10062023P [0,1,0,0,0,0|0,0,2]=3 81 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,1,0,0,0,0|2,0,1]=4 82 B6R0.3 CCC(C(O)=O)=C M10055842P [0,1,0,0,0,0|1,0,0]=2 83 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 C[C@H](O)C(OC)=O M10199944P [0,1,0,0,0,0|0,0,2]=3 85 B6R0.3 C\C(C(O)=O)=C\C M10014266P [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [0,1,0,0,0,0|1,0,1]=3 87 B6R0.3 N[C@H](CS)C(O)=O M10832565P [0,1,0,0,0,0|1,0,1]=3 88 B6R0.3 O=C(CBr)C(Br)Br M10054834P [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 O=C(N(C)C)CBr M10076656P [0,1,0,0,0,0|3,0,0]=4 91 B6R0.3 O=C(N(C)C)CN M10037195P [0,1,0,0,0,0|3,0,0]=4 92 B6R0.3 O=C(N(C)C)CN M10446751P [0,1,0,0,0,0|3,0,0]=4 93 B6R0.3 O=C(N)C(NN)=O M10012868P [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 O=C(N)N(C)N=O M10018346P [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 O=C(O)C(N)CS M10631134P [0,1,0,0,0,0|1,0,1]=3 96 B6R0.3 O=C(O)C(O)CCl M10035208P [0,1,0,0,0,0|0,0,2]=3 97 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [0,1,0,0,0,0|1,0,1]=3 98 B6R0.3 O=C(OC)C(F)F M10010713P [0,1,0,0,0,0|2,0,1]=4 99 B6R0.7 CC(C(C)(O)C)=O M10004002P [0,1,0,0,0,0|1,0,1]=3 100 B6R0.7 CC(C)(Br)C(Cl)=O M12277198P [0,1,0,0,0,0|2,0,1]=4 101 B6R0.7 CC(C)(Br)C(N)=O M10105866P [0,1,0,0,0,0|2,0,1]=4 102 B6R0.7 CC(C)(C)C(N)=O M10019870P [0,1,0,0,0,0|2,0,1]=4 103 B6R0.7 CC(C)(C)C([O-])=O M10179561P [0,1,0,0,0,0|1,0,2]=4 104 B6R0.7 CC(C)(Cl)C(O)=O M10015207P [0,1,0,0,0,0|1,0,1]=3 105 B6R0.7 CC(C)(F)C(O)=O M10396272P [0,1,0,0,0,0|1,0,1]=3 106 B6R0.7 CC(C)(S)C(O)=O M10065399P [0,1,0,0,0,0|0,1,1]=3 107 B6R0.7 CC(F)(F)C(O)=O M10009569P [0,1,0,0,0,0|1,0,1]=3 108 B6R0.7 CC(O)(C)C(N)=O M10119909P [0,1,0,0,0,0|1,0,2]=4 109 B6R0.7 O=C(O)C(Br)(Br)Br M10000934P [0,1,0,0,0,0|2,0,1]=4 110 B6R0.7 O=C(P([O-])([O-])=O)[O-] M10222876P [0,1,0,0,0,0|2,0,1]=4 111 B6R0.7 OC(C(F)(F)C)=S M10491979P [0,1,0,0,0,0|1,1,1]=4 112 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,0,1|1,0,0]=2 113 B6R0.2 CC(N)CC(O)=O M10187780P [0,0,0,0,0,1|1,0,1]=3 114 B6R0.2 CC(NC(N)=N)=O M10079352P [0,0,0,0,0,1|2,0,0]=3 115 B6R0.2 CC(O)CC([O-])=O M10005658P [0,0,0,0,0,1|0,0,3]=4 116 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,0,0,0,1|2,0,1]=4 117 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,0,0,0,1|0,0,2]=3 118 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,0,0,0,0,1|0,0,3]=4 119 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,0,0,0,0,1|1,0,1]=3 120 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,0,0,0,0,1|1,0,1]=3 121 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,0,0,0,1|0,0,2]=3 122 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,0,0,0,0,1|2,0,1]=4 123 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,0,1|2,0,0]=3 124 B6R0.2 O=C(N)CC(N)=N M10224228P [0,0,0,0,0,1|3,0,0]=4 125 B6R0.2 O=C([O-])CN(C)C M10154757P [0,0,0,0,0,1|2,0,1]=4 126 B3R0.1 C#CC=O M10016729P [2,0,0,0,0,0|0,0,2]=4 127 B3R0.1 C=COC M10003420P [2,0,0,0,0,0|2,0,0]=4 128 B3R0.1 OCC=O M12277445P [2,0,0,0,0,0|0,0,1]=3 129 B3R0.1 ONCC M10249174P [2,0,0,0,0,0|1,0,1]=4 130 B3R0.2 CC(O)=O M10103976P [2,0,0,0,0,0|0,0,0]=2 131 B3R0.2 CC([O-])=O M10013508P [2,0,0,0,0,0|0,0,1]=3 132 B3R0.2 CC([O-])=O M10022986P [2,0,0,0,0,0|0,0,1]=3 133 B3R0.2 CC([O-])=O M10033374P [2,0,0,0,0,0|0,0,1]=3 134 B3R0.2 CC([O-])=O M10051025P [2,0,0,0,0,0|0,0,1]=3 135 B3R0.2 CC([O-])=O M10054051P [2,0,0,0,0,0|0,0,1]=3 136 B3R0.2 CC([O-])=O M10083855P [2,0,0,0,0,0|0,0,1]=3 137 B3R0.2 CC([O-])=O M10108862P [2,0,0,0,0,0|0,0,1]=3 138 B3R0.2 CC([O-])=O M10248137P [2,0,0,0,0,0|0,0,1]=3 139 B3R0.2 CC([O-])=O M10446324P [2,0,0,0,0,0|0,0,1]=3 140 B3R0.2 CC([O-])=O M10641144P [2,0,0,0,0,0|0,0,1]=3 141 B3R0.2 CC([O-])=O M11189623P [2,0,0,0,0,0|0,0,1]=3 142 B3R0.2 CC([O-])=O M11194227P [2,0,0,0,0,0|0,0,1]=3 143 B3R0.2 NC(N)=O M10111063P [2,0,0,0,0,0|2,0,0]=4 144 B3R0.2 O=I([O-])=O M10111460P [2,0,0,0,0,0|1,0,1]=4 145 B3R0.2 O=P([O-])=O M10126323P [2,0,0,0,0,0|1,0,1]=4 146 B3R0.2 O=P([O-])=O M10126394P [2,0,0,0,0,0|1,0,1]=4 147 B3R0.2 O=[P+](C)C M10102480P [2,0,0,0,0,0|1,0,1]=4 148 B3R0.2 OC([O-])=O M10082436P [2,0,0,0,0,0|0,0,1]=3 149 B3R0.2 [O-]C([O-])=O M10013429P [2,0,0,0,0,0|0,0,2]=4 150 B3R0.2 [O-]C([O-])=O M10014782P [2,0,0,0,0,0|0,0,2]=4 151 B3R0.2 [O-]C([O-])=O M10177017P [2,0,0,0,0,0|0,0,2]=4 152 B3R0.2 [O-]C([O-])=O M10295180P [2,0,0,0,0,0|0,0,2]=4 153 B5R0.1 CC(C)=CCCl M10012522P [1,1,0,0,0,0|2,0,0]=4 154 B5R0.1 CC(CC#N)=O M10044340P [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 CC(CCCl)=O M10089400P [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CC(COC)=O M10081509P [1,1,0,0,0,0|0,0,1]=3 157 B5R0.1 CC(OC=O)=O M10041862P [1,1,0,0,0,0|0,0,0]=2 158 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,1,0,0,0,0|1,0,0]=3 159 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,1,0,0,0,0|1,0,0]=3 160 B5R0.1 ClCOC(C)=O M10016791P [1,1,0,0,0,0|1,0,1]=4 161 B5R0.1 O=C(Cl)OCCl M10173503P [1,1,0,0,0,0|2,0,0]=4 162 B5R0.1 O=C(O)CCF M10011311P [1,1,0,0,0,0|0,0,1]=3 163 B5R0.1 O=C(O)CCO M10012525P [1,1,0,0,0,0|0,0,1]=3 164 B5R0.1 O=C([O-])CNC M10061947P [1,1,0,0,0,0|0,0,2]=4 165 B5R0.3 C=CC(NC)=O M10028554P [1,1,0,0,0,0|1,0,0]=3 166 B5R0.3 CCC(C=O)=C M10023101P [1,1,0,0,0,0|1,0,0]=3 167 B5R0.3 CCC(CBr)=O M10021171P [1,1,0,0,0,0|1,0,1]=4 168 B5R0.3 CCC(NC)=O M10028553P [1,1,0,0,0,0|1,0,1]=4 169 B5R0.3 CCC(NO)=N M10205861P [1,1,0,0,0,0|1,0,1]=4 170 B5R0.3 O=C(CBr)CBr M10204064P [1,1,0,0,0,0|1,0,1]=4 171 B5R0.3 O=C(CO)CO M10002465P [1,1,0,0,0,0|0,0,1]=3 172 B5R0.3 O=C(OC)C=O M10023106P [1,1,0,0,0,0|0,0,0]=2 173 B5R0.3 O=C(OC)CBr M10002471P [1,1,0,0,0,0|1,0,1]=4 174 B5R0.3 O=C(OC)OC M10016226P [1,1,0,0,0,0|1,0,0]=3 175 B5R0.3 O=S(OC)OC M10016229P [1,1,0,0,0,0|2,0,0]=4 176 B5R0.3 OCC(CO)=C M10055135P [1,1,0,0,0,0|1,0,1]=4 177 B5R0.4 C=CS(=O)(C)=O M10056663P [1,1,0,0,0,0|2,0,0]=4 178 B5R0.4 CCS(=O)(O)=O M10015200P [1,1,0,0,0,0|1,0,1]=4 179 B7R0.2 CC(N)CC(OC)=O M10083532P [0,1,0,0,0,1|1,0,1]=4 180 B7R0.2 CC(O)CC(OC)=O M10031579P [0,1,0,0,0,1|0,0,2]=4 181 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,1,0,0,0,1|1,0,1]=4 182 B7R0.2 O=C(O)CC(O)CN M10190010P [0,1,0,0,0,1|0,0,2]=4 183 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,1,0,0,0,1|0,0,2]=4 184 B7R0.2 O=C(OC)C[N+]([O-])=O M10044460P [0,1,0,0,0,1|1,0,1]=4 185 B7R0.2 OCC(OC(C)C)=O M10016659P [0,1,0,0,0,1|1,0,1]=4 186 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,1,0,0,0,1|1,0,1]=4 187 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,1,0,0,0,1|1,0,1]=4 188 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,1,0,0,0,1|0,0,2]=4 189 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,0,1|0,0,0]=2 190 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,1,0,0,0,1|1,0,1]=4 191 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,1,0,0,0,1|1,0,1]=4 192 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,1,0,0,0,1|1,0,0]=3 193 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [0,1,0,0,0,1|2,0,0]=4 194 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,1,0,0,0,1|1,0,0]=3 195 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,2,0,0,0,0|1,0,1]=4 196 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,2,0,0,0,0|1,0,1]=4 197 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,2,0,0,0,0|1,0,1]=4 198 B7R0.5 CC(Br)C(OCC)=O M10013455P [0,2,0,0,0,0|1,0,1]=4 199 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,2,0,0,0,0|1,0,0]=3 200 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,2,0,0,0,0|1,0,1]=4 201 B7R0.5 CC(S)C(OCC)=O M10162587P [0,2,0,0,0,0|0,1,1]=4 202 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,2,0,0,0,0|1,0,1]=4 203 B7R0.5 CCCC(C)C(O)=O M10209692P [0,2,0,0,0,0|1,0,1]=4 204 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,2,0,0,0,0|1,0,0]=3 205 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [0,2,0,0,0,0|1,0,1]=4 206 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,2,0,0,0,0|0,0,2]=4 207 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,2,0,0,0,0|1,0,1]=4 208 B7R0.5 O=C(O)C(F)CCN M10193859P [0,2,0,0,0,0|1,0,1]=4 209 B7R0.5 O=C(O)C(N)CCN M10024859P [0,2,0,0,0,0|1,0,1]=4 210 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,2,0,0,0,0|0,0,0]=2 211 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,2,0,0,0,0|1,0,1]=4 212 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,2,0,0,0,0|1,0,1]=4 213 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,2,0,0,0,0|1,0,1]=4 214 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,2,0,0,0,0|1,0,1]=4 215 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,2,0,0,0,0|1,0,0]=3 216 B7R0.10 C=C(CBr)C(OC)=O M10061142P [0,2,0,0,0,0|1,0,0]=3 217 B7R0.10 C=C(CCl)C(OC)=O M10023089P [0,2,0,0,0,0|1,0,0]=3 218 B7R0.10 C=C(CO)C(OC)=O M10137156P [0,2,0,0,0,0|1,0,0]=3 219 B7R0.10 N[C@@H](CCl)C(OC)=O M10147479P [0,2,0,0,0,0|1,0,1]=4 220 B7R0.10 O=C(N(OC)C)CCl M10425298P [0,2,0,0,0,0|2,0,0]=4 221 B7R0.10 O=C(OC)C(Br)CBr M10035422P [0,2,0,0,0,0|1,0,1]=4 222 B7R0.10 O=C(OC)C(Cl)CCl M10056613P [0,2,0,0,0,0|1,0,1]=4 223 B7R0.10 O=C(OC)[C@@H](O)CO M10113922P [0,2,0,0,0,0|0,0,2]=4 224 B7R0.10 O=C(OC)[C@H](N)CCl M10682812P [0,2,0,0,0,0|1,0,1]=4 225 B7R0.10 O=C([C@@H](O)CO)CO M10013403P [0,2,0,0,0,0|0,0,2]=4 226 B7R0.10 OC\C(Br)=C(Br)\CO M10052510P [0,2,0,0,0,0|2,0,0]=4 227 B7R0.13 C#CC(C)(C)C(O)=O M10289912P [0,2,0,0,0,0|1,0,1]=4 228 B7R0.13 C=CC(C)(C)C(O)=O M10113674P [0,2,0,0,0,0|1,0,1]=4 229 B7R0.13 CC(C)(ON)C(O)=O M10581540P [0,2,0,0,0,0|0,0,2]=4 230 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [0,2,0,0,0,0|1,0,1]=4 231 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [0,2,0,0,0,0|1,0,1]=4 232 B7R0.13 N[C@@](CO)(C)C(O)=O M10482199P [0,2,0,0,0,0|0,0,2]=4 233 B7R0.13 O=C(O)C(C)(C)CO M10066659P [0,2,0,0,0,0|0,0,2]=4 234 B7R0.13 O=C(O)C(F)(F)CN M11105330P [0,2,0,0,0,0|1,0,1]=4 235 B7R0.13 O=C(O)[C@@](C)(N)CO M10145330P [0,2,0,0,0,0|0,0,2]=4 236 B7R0.14 CC(C)(C)C(OC)=O M10015374P [0,2,0,0,0,0|1,0,1]=4 237 B7R0.15 O=C(O)C(CBr)CBr M10245960P [0,2,0,0,0,0|1,0,1]=4 238 B5R1.2 O=C1CNC1 M10150179P [1,0,0,1,0,0|1,0,1]=4 239 B5R1.2 O=C1CSC1 M10173528P [1,0,0,1,0,0|0,1,1]=4 240 B5R1.2 O=C1NCC1 M10023349P [1,0,0,1,0,0|1,0,1]=4 241 B7R1.2 CC1=COC(Br)=N1 M11097892P [0,0,0,1,0,1|2,0,0]=4 242 B7R1.2 NC1=NC(C)=CO1 M10228028P [0,0,0,1,0,1|2,0,0]=4 243 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,0,0,1,0,1|1,0,1]=4 244 B7R1.2 O=C1CC(CC1)=O M10058164P [0,0,0,1,0,1|1,0,0]=3 245 B7R1.2 O=C1N=C(N)SC1 M10014084P [0,0,0,1,0,1|1,1,0]=4 246 B7R1.2 O=C1N=C(N)SC1 M10040985P [0,0,0,1,0,1|1,1,0]=4 247 B7R1.2 O=C1NC(C)=CN1 M10028708P [0,0,0,1,0,1|2,0,0]=4 248 B7R1.2 O=C1NC(CC1)=O M10004579P [0,0,0,1,0,1|1,0,0]=3 249 B7R1.2 O=C1NCC(O1)=O M10040935P [0,0,0,1,0,1|1,0,0]=3 250 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,0,0,1,0,1|2,0,0]=4 251 B7R1.2 O=C1OC(CO1)C M10003516P [0,0,0,1,0,1|1,0,1]=4 252 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,0,0,1,0,1|1,0,1]=4 253 B7R1.2 O=C1OCC(F)O1 M10694293P [0,0,0,1,0,1|1,0,1]=4 254 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,0,0,1,0,1|1,0,1]=4 255 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,0,0,1,0,1|0,0,2]=4 256 B7R1.2 OC1=CC(C)=NN1 M10735473P [0,0,0,1,0,1|2,0,0]=4 257 B7R1.4 C=C1CCOC1=O M10013811P [0,1,0,1,0,0|1,0,0]=3 258 B7R1.4 CC1=CCCC1=O M10027183P [0,1,0,1,0,0|2,0,0]=4 259 B7R1.4 O=C1NCCC1O M10135336P [0,1,0,1,0,0|1,0,1]=4 260 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,1,0,1,0,0|1,0,1]=4 261 B7R1.18 O=C(C1NCC1)O M10164146P [0,1,0,1,0,0|1,0,1]=4 262 B7R1.18 O=C(C1OCC1)O M10006194P [0,1,0,1,0,0|0,0,2]=4 263 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,1,0,1,0,0|1,0,1]=4 264 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,1,0,1,0,0|1,0,1]=4 265 B7R1.22 O=C([C@@H]1OC1)OC M12003527P [0,1,0,1,0,0|0,0,2]=4 266 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,0,0,0,0,2|1,0,1]=4 267 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,0,2|0,0,1]=3 268 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,0,0,0,0,2|2,0,0]=4 269 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,0,2|0,0,1]=3 270 B7R0.6 O=C(O)CCN(C)C M10133339P [0,0,0,0,0,2|2,0,0]=4 271 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,0,0,0,0,2|1,0,0]=3 272 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,0,0,0,0,2|1,0,0]=3 273 B7R0.6 O=C([O-])C#CC([O-])=O M10023271P [0,0,0,0,0,2|1,0,1]=4 274 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,0,0,0,0,2|1,0,1]=4 275 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,0,0,0,0,2|1,0,1]=4 276 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,0,0,0,0,2|1,0,0]=3