0 B7R0.5 CC(Br)C(OCC)=O M10013455P [0,0,0,0,0,0|1,0,1]=2 1 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,0,0,0,0,0|1,0,0]=1 2 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CC(S)C(OCC)=O M10162587P [0,0,0,0,0,0|0,1,1]=2 4 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,0,0,0,0,0|3,0,1]=4 5 B7R0.5 CCCC(C)C(O)=O M10209692P [0,0,0,0,0,0|3,0,1]=4 6 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,0,0,0,0,0|3,0,0]=3 7 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [0,0,0,0,0,0|1,0,1]=2 8 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,0,0,0,0,0|0,0,2]=2 9 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,0,0,0,0,0|1,0,0]=1 10 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,0,0,0,0,0|1,0,0]=1 11 B7R0.5 O=C(OCC)N(Cl)Cl M10125853P [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 C=CC(NCC)=O M10081542P [1,0,0,0,0,0|1,0,1]=3 13 B6R0.1 C=CC(OCC)=O M10186126P [1,0,0,0,0,0|0,0,1]=2 14 B6R0.1 CC#CC(OC)=O M10179372P [1,0,0,0,0,0|2,0,1]=4 15 B6R0.1 CCCC(C)C=O M10004549P [1,0,0,0,0,0|2,0,1]=4 16 B6R0.1 CCCC(NN)=O M10055378P [1,0,0,0,0,0|3,0,0]=4 17 B6R0.1 C\C=C\C(OC)=O M10156893P [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 O=C(C#N)OCC M10016649P [1,0,0,0,0,0|1,0,1]=3 19 B6R0.1 O=C(OC)CCN M10060379P [1,0,0,0,0,0|3,0,0]=4 20 B6R0.1 O=C(OCC)CBr M10003242P [1,0,0,0,0,0|1,0,1]=3 21 B6R0.1 O=C(OCC)CN M10011247P [1,0,0,0,0,0|1,0,1]=3 22 B6R0.3 C=C(CBr)C(O)=O M10448395P [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 C=C(F)C(OC)=O M10042642P [1,0,0,0,0,0|1,0,1]=3 24 B6R0.3 CC(C(CBr)=O)=O M10070633P [1,0,0,0,0,0|1,0,0]=2 25 B6R0.3 CC(C(NC)=O)=C M10058367P [1,0,0,0,0,0|2,0,0]=3 26 B6R0.3 CC(C(S)CC)=O M10426560P [1,0,0,0,0,0|0,1,1]=3 27 B6R0.3 CC(C)C(OC)=O M10013809P [1,0,0,0,0,0|1,0,1]=3 28 B6R0.3 CC(O)C(OC)=O M10013810P [1,0,0,0,0,0|0,0,2]=3 29 B6R0.3 CC(OC)C(O)=O M10062023P [1,0,0,0,0,0|2,0,1]=4 30 B6R0.3 CCC(Br)C(Br)=O M10192304P [1,0,0,0,0,0|2,0,1]=4 31 B6R0.3 CCC(C(O)=O)=C M10055842P [1,0,0,0,0,0|2,0,0]=3 32 B6R0.3 C[C@H](O)C(OC)=O M10199944P [1,0,0,0,0,0|0,0,2]=3 33 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,0,0,0,0,0|2,0,1]=4 34 B6R0.3 O=C(N(C)C)CBr M10076656P [1,0,0,0,0,0|3,0,0]=4 35 B6R0.3 O=C(N(C)C)CN M10037195P [1,0,0,0,0,0|3,0,0]=4 36 B6R0.3 O=C(N(C)C)CN M10446751P [1,0,0,0,0,0|3,0,0]=4 37 B6R0.3 O=C(N)C(NN)=O M10012868P [1,0,0,0,0,0|3,0,0]=4 38 B6R0.3 O=C(OC)C(F)F M10010713P [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|3,0,0]=4 41 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|3,0,0]=4 42 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,0,0,0,0|2,0,0]=3 43 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 O=C(O)COCC M10016894P [1,0,0,0,0,0|1,0,1]=3 45 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,0,0,0,0,0|3,0,0]=4 46 B8R0.2 CCC(C)C(C([O-])=O)=O M10422004P [0,1,0,0,0,0|2,0,0]=3 47 B8R0.3 C=C(CBr)C(OCC)=O M10149618P [0,1,0,0,0,0|1,0,0]=2 48 B8R0.3 C=C(CO)C(OCC)=O M10111430P [0,1,0,0,0,0|1,0,0]=2 49 B8R0.3 CCC(C(OCC)=O)=O M10139497P [0,1,0,0,0,0|0,0,0]=1 50 B8R0.3 CCCC(Br)C(OC)=O M10159141P [0,1,0,0,0,0|2,0,1]=4 51 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [0,1,0,0,0,0|2,0,1]=4 52 B8R0.3 N[C@H](CC)C(OCC)=O M10388706P [0,1,0,0,0,0|1,0,1]=3 53 B8R0.3 O=C(OCC)C(NN)=O M10226438P [0,1,0,0,0,0|1,0,0]=2 54 B8R0.8 CC(O)C(OCCC)=O M10016208P [0,1,0,0,0,0|0,0,2]=3 55 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [0,1,0,0,0,0|2,0,1]=4 56 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [0,1,0,0,0,0|0,0,2]=3 57 B8R0.14 CC(C)(C)C(OCC)=O M10058723P [0,1,0,0,0,0|1,0,1]=3 58 B8R0.14 CC(C)(C)C(OCI)=O M10268601P [0,1,0,0,0,0|2,0,1]=4 59 B8R0.14 CC(F)(F)C(OCC)=O M10203528P [0,1,0,0,0,0|1,0,1]=3 60 B8R0.14 O=C(OCC)C(F)(F)I M10109464P [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,0,0,0,0|2,0,0]=3 62 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,0,0|1,0,0]=2 63 B8R0.23 CC(C(NC(C)C)=O)=C M10126221P [0,1,0,0,0,0|2,0,0]=3 64 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,1,0,0,0,0|2,0,0]=3 65 B8R0.23 C[C@@H](N)C(OC(C)C)=O M10240042P [0,1,0,0,0,0|1,0,1]=3 66 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,0,0,1,0,0|2,0,1]=4 67 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [0,0,0,1,0,0|2,0,1]=4 68 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,0,0,1,0,0|2,0,1]=4 69 B8R1.7 CC(C1SCCN1)=O M10425066P [0,0,0,1,0,0|1,1,1]=4 70 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,0,0,1,0,0|1,0,1]=3 71 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,0,0,1,0,0|1,0,1]=3 72 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [0,0,0,1,0,0|2,0,0]=3 73 B8R0.5 CC(N)CC(OCC)=O M10070569P [0,0,0,0,0,1|1,0,1]=3 74 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [0,0,0,0,0,1|0,0,2]=3 75 B8R0.5 O=C(OCC)CC(N)=S M10125318P [0,0,0,0,0,1|1,1,0]=3 76 B5R0.1 C=C(OCC)C M10023218P [2,0,0,0,0,0|1,0,0]=3 77 B5R0.1 CC(C)=CCCl M10012522P [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|0,0,1]=3 80 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|1,0,1]=4 81 B5R0.1 CC(OCC)=N M10041195P [2,0,0,0,0,0|1,0,0]=3 82 B5R0.1 C[SiH](OCC)C M10133661P [2,0,0,0,0,0|1,1,0]=4 83 B5R0.1 C\C=C\C(Cl)=O M10016774P [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 C\C=C\C(Cl)=O M10115520P [2,0,0,0,0,0|1,0,1]=4 85 B5R0.1 ClCOC(C)=O M10016791P [2,0,0,0,0,0|1,0,0]=3 86 B5R0.1 NC(OCC)=N M10213773P [2,0,0,0,0,0|2,0,0]=4 87 B5R0.1 O=C(Cl)OCCl M10173503P [2,0,0,0,0,0|2,0,0]=4 88 B5R0.2 C=CCOCC M10014106P [2,0,0,0,0,0|0,0,2]=4 89 B5R0.2 C\C=C\OCC M10023285P [2,0,0,0,0,0|0,0,0]=2 90 B5R0.3 C=CC(NC)=O M10028554P [2,0,0,0,0,0|1,0,1]=4 91 B5R0.3 CCC(C=O)=C M10023101P [2,0,0,0,0,0|1,0,0]=3 92 B5R0.3 CCC(CBr)=O M10021171P [2,0,0,0,0,0|1,0,1]=4 93 B5R0.3 CCC(NC)=O M10028553P [2,0,0,0,0,0|1,0,0]=3 94 B5R0.3 O=C(OC)C=O M10023106P [2,0,0,0,0,0|0,0,0]=2 95 B5R0.3 O=C(OC)CBr M10002471P [2,0,0,0,0,0|1,0,1]=4 96 B5R0.3 O=C(OC)OC M10016226P [2,0,0,0,0,0|1,0,0]=3 97 B5R0.3 O=S(OC)OC M10016229P [2,0,0,0,0,0|2,0,0]=4 98 B5R0.5 C=C(F)C(O)=O M10010638P [2,0,0,0,0,0|1,0,1]=4 99 B5R0.5 CC(C(C)=C)=O M10021132P [2,0,0,0,0,0|1,0,0]=3 100 B5R0.5 CC(C([O-])=O)=C M10077430P [2,0,0,0,0,0|1,0,1]=4 101 B5R0.5 CC(C([O-])=O)=C M10097056P [2,0,0,0,0,0|1,0,1]=4 102 B5R0.5 CC(F)C(O)=O M10083620P [2,0,0,0,0,0|1,0,1]=4 103 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [2,0,0,0,0,0|1,0,1]=4 104 B5R0.5 C[C@@H](O)C(O)=O M10114112P [2,0,0,0,0,0|0,0,2]=4 105 B5R0.5 C[C@H](Br)C(O)=O M10217830P [2,0,0,0,0,0|1,0,1]=4 106 B5R0.5 O=C(C)C([O-])=O M10204094P [2,0,0,0,0,0|0,0,1]=3 107 B5R0.5 O=C(O)C(O)=O M10094285P [2,0,0,0,0,0|1,0,0]=3 108 B5R0.5 O=C([O-])C([O-])=O M10013989P [2,0,0,0,0,0|1,0,1]=4 109 B5R0.5 O=C([O-])C([O-])=O M10082392P [2,0,0,0,0,0|1,0,1]=4 110 B5R0.5 O=C([O-])C([O-])=O M10193068P [2,0,0,0,0,0|1,0,1]=4 111 B5R0.5 O=C([O-])C([O-])=O M10211923P [2,0,0,0,0,0|1,0,1]=4 112 B5R0.5 O=C([O-])C([O-])=O M10271683P [2,0,0,0,0,0|1,0,1]=4 113 B7R0.2 CC(N)CC(OC)=O M10083532P [1,1,0,0,0,0|2,0,0]=4 114 B7R0.2 CC(O)CC(OC)=O M10031579P [1,1,0,0,0,0|2,0,0]=4 115 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [1,1,0,0,0,0|2,0,0]=4 116 B7R0.2 O=C(OC(C)C)CCl M10003254P [1,1,0,0,0,0|1,0,1]=4 117 B7R0.2 OCC(OC(C)C)=O M10016659P [1,1,0,0,0,0|0,0,2]=4 118 B7R0.3 C=CC(NCCC)=O M10192147P [1,1,0,0,0,0|1,0,1]=4 119 B7R0.3 C=CC(OCC=C)=O M10024753P [1,1,0,0,0,0|0,0,2]=4 120 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|2,0,0]=4 121 B7R0.3 O=C(OCCC)CBr M10226573P [1,1,0,0,0,0|1,0,1]=4 122 B7R0.7 C=C(OCC)OCC M10046654P [1,1,0,0,0,0|1,0,1]=4 123 B7R0.7 CCCC(OCCl)=O M10221194P [1,1,0,0,0,0|1,0,1]=4 124 B7R0.7 C\C=C\C(OCC)=O M10116065P [1,1,0,0,0,0|0,0,0]=2 125 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [1,1,0,0,0,0|1,0,0]=3 126 B7R0.7 O=C(OCC)CCS M10076471P [1,1,0,0,0,0|0,0,1]=3 127 B7R0.7 O=C(OCC)CNN M10098052P [1,1,0,0,0,0|1,0,1]=4 128 B7R0.7 O=C(OCC)\C=C\I M10215517P [1,1,0,0,0,0|0,0,1]=3 129 B7R0.7 O=C(OCCl)OCC M10226366P [1,1,0,0,0,0|1,0,0]=3 130 B7R0.7 O=S(OCC)OCC M10016673P [1,1,0,0,0,0|1,0,1]=4 131 B7R0.14 CC(C)(C)C(OC)=O M10015374P [1,1,0,0,0,0|1,0,1]=4 132 B7R0.15 CC(N(CC)CC)=O M10018363P [1,1,0,0,0,0|2,0,0]=4 133 B7R0.16 C=C(C)C(N(C)C)=O M12276663P [1,1,0,0,0,0|2,0,0]=4 134 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [1,1,0,0,0,0|1,0,0]=3 135 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [1,1,0,0,0,0|1,0,0]=3 136 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [1,1,0,0,0,0|1,0,0]=3 137 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [1,1,0,0,0,0|2,0,0]=4 138 B7R0.4 CC(CCCCBr)=O M10113189P [1,1,0,0,0,0|1,0,1]=4 139 B7R0.4 CC(OCCOC)=O M10003718P [1,1,0,0,0,0|2,0,0]=4 140 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [1,1,0,0,0,0|1,0,0]=3 141 B7R0.4 O=C(N)COCCCl M10232141P [1,1,0,0,0,0|1,0,1]=4 142 B7R0.4 O=C(O)CCOCC M10062024P [1,1,0,0,0,0|1,0,1]=4 143 B7R0.4 O=C(O)COCCC M10276951P [1,1,0,0,0,0|1,0,1]=4 144 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [1,1,0,0,0,0|2,0,0]=4 145 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [1,1,0,0,0,0|2,0,0]=4 146 B9R0.4 CC(CC(OCC=C)=O)=O M10027087P [0,1,0,0,0,1|0,0,1]=3 147 B9R0.4 CC(OC(C)=O)COCC M10278996P [0,1,0,0,0,1|1,0,1]=4 148 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,1,0,0,0,1|0,0,0]=2 149 B9R0.6 CC(C(Cl)C(OCC)=O)=O M10015794P [0,1,0,0,0,1|0,0,0]=2 150 B9R0.6 CC(C(N)C(OCC)=O)=O M10164762P [0,1,0,0,0,1|0,0,0]=2 151 B9R0.6 CC(C)C(C(OCC)=O)=O M10164737P [0,1,0,0,0,1|1,0,1]=4 152 B9R0.6 C[C@@H](O)[C@H](N)C(OCC)=O M10241292P [0,1,0,0,0,1|0,0,2]=4 153 B9R0.34 O=C(OCC)CC(CBr)=O M10121526P [0,1,0,0,0,1|0,0,0]=2 154 B9R0.34 O=C(OCC)CC(NC)=O M10443263P [0,1,0,0,0,1|0,0,0]=2 155 B9R0.34 O=C(OCC)CC(NN)=O M10211742P [0,1,0,0,0,1|1,0,0]=3 156 B9R0.34 O=C(OCC)CC(O)CCl M10115530P [0,1,0,0,0,1|0,0,2]=4 157 B9R0.44 CC(C)(N)CC(OCC)=O M10502863P [0,1,0,0,0,1|1,0,1]=4 158 B9R0.44 CC(C)(O)CC(OCC)=O M10154399P [0,1,0,0,0,1|0,0,2]=4 159 B9R0.19 O=C(OCC)C(C)(C)CN M10478704P [0,2,0,0,0,0|1,0,1]=4 160 B9R0.35 CCCC(C(OCC)=O)=O M10254180P [0,2,0,0,0,0|0,0,0]=2 161 B9R0.35 O=C(OCC)C(Cl)OCC M10222370P [0,2,0,0,0,0|1,0,1]=4 162 B9R0.37 CCC(C#N)C(OCC)=O M10033717P [0,2,0,0,0,0|1,0,1]=4 163 B9R0.37 O=C(OCC)C(C=O)C=O M10479166P [0,2,0,0,0,0|0,0,2]=4 164 B9R0.7 C=C(C)C(OCC(O)C)=O M11208097P [0,2,0,0,0,0|1,0,0]=3 165 B9R0.47 CC(C(OCCCC)=O)=O M10165130P [0,2,0,0,0,0|0,0,0]=2 166 B9R0.47 C[C@H](O)C(OCCCC)=O M10223932P [0,2,0,0,0,0|0,0,2]=4 167 B9R0.10 CC(C)(Br)C(OC(C)C)=O M10259426P [0,2,0,0,0,0|1,0,1]=4 168 B9R0.57 C=C(C)C(OC(C)(C)C)=O M10014814P [0,2,0,0,0,0|1,0,0]=3 169 B9R0.57 CC(Br)C(OC(C)(C)C)=O M10238826P [0,2,0,0,0,0|1,0,1]=4 170 B7R1.1 CCC1=NCCO1 M10115051P [1,0,0,1,0,0|1,0,1]=4 171 B7R1.1 O=CC1OCCC1 M10109701P [1,0,0,1,0,0|1,0,1]=4 172 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,1,0,0|2,0,0]=4 173 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|1,0,0]=3 174 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,1,0,0|2,0,0]=4 175 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,1,0,0|2,0,0]=4 176 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|1,0,0]=3 177 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,1,0,0|2,0,0]=4 178 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,1,0,0|2,0,0]=4 179 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,1,0,0|0,0,2]=4 180 B7R1.4 C=C1CCOC1=O M10013811P [1,0,0,1,0,0|0,0,1]=3 181 B7R1.4 CC1=CCCC1=O M10027183P [1,0,0,1,0,0|1,0,1]=4 182 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|1,0,1]=4 183 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,0,0,1,0,1|1,0,0]=3 184 B9R1.41 O=C1OC=CN1C(C)=O M10316975P [0,0,0,1,0,1|0,0,2]=4 185 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,0,0,1,0,1|0,0,2]=4 186 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,0,0,1,0,1|1,0,0]=3 187 B9R1.37 O=C1C(C(C)C(C)C1)=O M10124286P [0,1,0,1,0,0|1,0,0]=3 188 B9R1.11 O=C(C1=CCCC1)OC M10190686P [0,1,0,1,0,0|2,0,0]=4 189 B9R1.11 O=C(C1OCCC1)OC M10233304P [0,1,0,1,0,0|1,0,1]=4 190 B9R1.73 O=C(C1CCC1)OCC M10133979P [0,1,0,1,0,0|1,0,1]=4 191 B9R1.73 O=C(C1CNC1)OCC M10874942P [0,1,0,1,0,0|1,0,1]=4 192 B9R1.6 O=C(C1=CCCCO1)O M10214169P [0,1,0,1,0,0|2,0,0]=4 193 B9R1.35 CC(C1=NC(C)=CO1)=O M10600566P [0,1,0,1,0,0|1,0,1]=4 194 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,0,0,0,0,2|1,0,1]=4 195 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,0,0,0,0,2|2,0,0]=4 196 B9R0.48 O=C(OCC)\C=C\C(Cl)=O M10193577P [0,0,0,0,0,2|1,0,0]=3 197 B9R0.48 O=C(OCC)\C=C\N(C)C M10027031P [0,0,0,0,0,2|2,0,0]=4