0 B7R0.7 C=C(OCC)OCC M10046654P [0,0,0,0,0,0|3,0,0]=3 1 B7R0.7 CCCC(OCCl)=O M10221194P [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 C\C(OCC)=N/C#N M10032691P [0,0,0,0,0,0|4,0,0]=4 3 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,0,0,0,0,0|1,0,1]=2 4 B7R0.7 O=C(CCCl)CCCl M10055903P [0,0,0,0,0,0|4,0,0]=4 5 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [0,0,0,0,0,0|2,0,1]=3 6 B7R0.7 O=C(OCC)CCS M10076471P [0,0,0,0,0,0|2,0,0]=2 7 B7R0.7 O=C(OCC)CNN M10098052P [0,0,0,0,0,0|2,0,0]=2 8 B7R0.7 O=C(OCC)\C=C\I M10215517P [0,0,0,0,0,0|2,0,1]=3 9 B7R0.7 O=C(OCCl)OCC M10226366P [0,0,0,0,0,0|3,0,0]=3 10 B7R0.7 O=S(OCC)OCC M10016673P [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C=CC(NCC)=O M10081542P [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 C=CC(OCC)=O M10186126P [1,0,0,0,0,0|0,0,2]=3 13 B6R0.1 CC#CC(OC)=O M10179372P [1,0,0,0,0,0|1,0,1]=3 14 B6R0.1 CC(OC)COC M10110559P [1,0,0,0,0,0|1,1,1]=4 15 B6R0.1 CCCC(NN)=O M10055378P [1,0,0,0,0,0|3,0,0]=4 16 B6R0.1 C\C=C\C(OC)=O M10156893P [1,0,0,0,0,0|1,0,1]=3 17 B6R0.1 O=C(C#N)OCC M10016649P [1,0,0,0,0,0|1,0,1]=3 18 B6R0.1 O=C(OC)CCN M10060379P [1,0,0,0,0,0|2,0,0]=3 19 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [1,0,0,0,0,0|1,0,1]=3 20 B6R0.1 O=C(OC=C)CCl M10186320P [1,0,0,0,0,0|1,0,2]=4 21 B6R0.1 O=C(OCC)CBr M10003242P [1,0,0,0,0,0|1,0,0]=2 22 B6R0.1 O=C(OCC)CN M10011247P [1,0,0,0,0,0|1,0,0]=2 23 B6R0.6 N#CCCOCC M10040387P [1,0,0,0,0,0|2,0,1]=4 24 B8R0.1 O=C(OCC)CCCBr M10049666P [0,1,0,0,0,0|1,0,0]=2 25 B8R0.1 O=C(OCC)CCCCl M10051695P [0,1,0,0,0,0|1,0,0]=2 26 B8R0.1 O=C(OCC)CCCN M10097497P [0,1,0,0,0,0|1,0,0]=2 27 B8R0.1 O=C(OCC)COCC M10021200P [0,1,0,0,0,0|0,1,0]=2 28 B8R0.1 O=C(OCC)NCCCl M10089881P [0,1,0,0,0,0|2,0,0]=3 29 B8R0.1 O=C(OCC)\C=C/C#N M10243264P [0,1,0,0,0,0|1,0,2]=4 30 B8R0.1 O=C(OCC)\C=C\C=O M10049575P [0,1,0,0,0,0|1,0,2]=4 31 B8R0.1 O=C(OCC)\C=C\CBr M10234278P [0,1,0,0,0,0|1,0,1]=3 32 B8R0.1 O=C(OCC=C)CC#N M10123003P [0,1,0,0,0,0|2,0,1]=4 33 B8R0.3 C=C(CBr)C(OCC)=O M10149618P [0,1,0,0,0,0|2,0,1]=4 34 B8R0.3 C=C(CO)C(OCC)=O M10111430P [0,1,0,0,0,0|2,0,1]=4 35 B8R0.3 CCC(C(OCC)=O)=O M10139497P [0,1,0,0,0,0|1,0,1]=3 36 B8R0.3 N[C@H](CC)C(OCC)=O M10388706P [0,1,0,0,0,0|1,0,0]=2 37 B8R0.3 O=C(OCC)C(NN)=O M10226438P [0,1,0,0,0,0|2,0,1]=4 38 B8R0.5 CC(N)CC(OCC)=O M10070569P [0,1,0,0,0,0|1,0,0]=2 39 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [0,1,0,0,0,0|1,0,0]=2 40 B8R0.5 O=C(OCC)CC(N)=S M10125318P [0,1,0,0,0,0|2,0,0]=3 41 B8R0.30 CP(OCC)(OCC)=O M10018298P [0,1,0,0,0,0|3,0,0]=4 42 B8R1.4 CC1OC(C)CNC1 M10005400P [0,0,0,1,0,0|2,0,1]=4 43 B8R1.4 O=C1CC(CSC1)=O M10096924P [0,0,0,1,0,0|2,0,1]=4 44 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,0,0,1,0,0|2,0,0]=3 45 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,0,0,1,0,0|3,0,0]=4 46 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,0,0,1,0,0|2,0,0]=3 47 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,0,0,1,0,0|3,0,0]=4 48 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [0,0,0,1,0,0|2,0,0]=3 49 B8R1.18 O=C1OC(O)C(C)=C1 M10244090P [0,0,0,1,0,0|2,0,1]=4 50 B8R1.22 O=C1CCNCCC1 M10254302P [0,0,0,1,0,0|3,0,0]=4 51 B8R1.37 N#CCC(C1CC1)=O M10706279P [0,0,0,1,0,0|3,0,0]=4 52 B5R0.1 C=C(OCC)C M10023218P [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CC(CC#N)=O M10044340P [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|2,0,0]=4 55 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|0,1,0]=3 56 B5R0.1 CC(OC=O)=O M10041862P [2,0,0,0,0,0|1,0,1]=4 57 B5R0.1 CC(OCC)=N M10041195P [2,0,0,0,0,0|1,0,0]=3 58 B5R0.1 CSCS(C)=O M10220911P [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 C[SiH](OCC)C M10133661P [2,0,0,0,0,0|1,1,0]=4 60 B5R0.1 ClCOC(C)=O M10016791P [2,0,0,0,0,0|1,0,0]=3 61 B5R0.1 NC(OCC)=N M10213773P [2,0,0,0,0,0|2,0,0]=4 62 B5R0.1 O=C(Cl)OCCl M10173503P [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|2,0,0]=4 65 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|1,0,1]=4 66 B5R0.2 C=CCOCC M10014106P [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 CCOCCCl M10016975P [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 CC[Se][Se]CC M10016980P [2,0,0,0,0,0|1,1,0]=4 69 B5R0.2 COCCOC M10003738P [2,0,0,0,0,0|0,1,1]=4 70 B5R0.2 C\C=C\OCC M10023285P [2,0,0,0,0,0|0,0,1]=3 71 B5R0.3 CCC(Br)CC M10036560P [2,0,0,0,0,0|1,0,1]=4 72 B5R0.3 CCC(C)CS M10037434P [2,0,0,0,0,0|1,0,1]=4 73 B5R0.3 CCC(CBr)=O M10021171P [2,0,0,0,0,0|1,0,0]=3 74 B5R0.3 CCC(N)CC M10016218P [2,0,0,0,0,0|1,0,1]=4 75 B5R0.3 CCC(NC)=O M10028553P [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 CC[Al](Cl)CC M10002450P [2,0,0,0,0,0|2,0,0]=4 77 B5R0.3 O=C(CBr)CBr M10204064P [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 O=C(CO)CO M10002465P [2,0,0,0,0,0|1,1,0]=4 79 B5R0.3 O=C(OC)C=O M10023106P [2,0,0,0,0,0|0,1,1]=4 80 B5R0.3 O=C(OC)CBr M10002471P [2,0,0,0,0,0|1,0,0]=3 81 B5R0.3 O=C(OC)OC M10016226P [2,0,0,0,0,0|0,1,0]=3 82 B5R0.3 O=S(OC)OC M10016229P [2,0,0,0,0,0|1,1,0]=4 83 B7R0.2 CC(N)CC(OC)=O M10083532P [1,1,0,0,0,0|1,0,0]=3 84 B7R0.2 CC(O)CC(OC)=O M10031579P [1,1,0,0,0,0|1,0,0]=3 85 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [1,1,0,0,0,0|1,0,0]=3 86 B7R0.2 O=C(NC(C)C)CBr M10460688P [1,1,0,0,0,0|2,0,0]=4 87 B7R0.2 O=C(NC(C)C)CN M10428027P [1,1,0,0,0,0|2,0,0]=4 88 B7R0.2 O=C(OC(C)C)CCl M10003254P [1,1,0,0,0,0|1,0,0]=3 89 B7R0.2 O=C(OC)C[N+]([O-])=O M10044460P [1,1,0,0,0,0|2,0,0]=4 90 B7R0.2 OCC(OC(C)C)=O M10016659P [1,1,0,0,0,0|0,1,0]=3 91 B7R0.3 O=C(OC)CCC=O M10126962P [1,1,0,0,0,0|1,0,1]=4 92 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|1,0,0]=3 93 B7R0.3 O=C(OC)\C=C\OC M10080442P [1,1,0,0,0,0|0,1,1]=4 94 B7R0.3 O=C(OCC=C)CCl M10049025P [1,1,0,0,0,0|1,0,1]=4 95 B7R0.3 O=C(OCCC)CBr M10226573P [1,1,0,0,0,0|1,0,0]=3 96 B7R0.5 CC(Br)C(OCC)=O M10013455P [1,1,0,0,0,0|0,0,0]=2 97 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,1,0,0,0,0|1,0,1]=4 98 B7R0.5 CC(C)C(OCCl)=O M10342363P [1,1,0,0,0,0|1,0,0]=3 99 B7R0.5 CC(S)C(OCC)=O M10162587P [1,1,0,0,0,0|0,0,0]=2 100 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [1,1,0,0,0,0|0,0,0]=2 101 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [1,1,0,0,0,0|0,0,0]=2 102 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,1,0,0,0,0|0,1,1]=4 103 B7R0.5 O=C(OCC)C(N)=O M10016280P [1,1,0,0,0,0|0,1,1]=4 104 B7R0.5 O=C(OCC)N(Cl)Cl M10125853P [1,1,0,0,0,0|2,0,0]=4 105 B7R0.10 N[C@@H](CCl)C(OC)=O M10147479P [1,1,0,0,0,0|2,0,0]=4 106 B7R0.10 O=C(OC)C(Br)CBr M10035422P [1,1,0,0,0,0|2,0,0]=4 107 B7R0.10 O=C(OC)C(Cl)CCl M10056613P [1,1,0,0,0,0|2,0,0]=4 108 B7R0.10 O=C(OC)[C@@H](O)CO M10113922P [1,1,0,0,0,0|2,0,0]=4 109 B7R0.10 O=C(OC)[C@H](N)CCl M10682812P [1,1,0,0,0,0|2,0,0]=4 110 B7R0.1 CCCCOCCCl M10115661P [1,1,0,0,0,0|1,0,1]=4 111 B7R0.1 CCOCCOCC M10017029P [1,1,0,0,0,0|0,1,1]=4 112 B7R0.1 COCCOCCN M11203897P [1,1,0,0,0,0|0,1,1]=4 113 B9R0.4 CC(CC(OCC=C)=O)=O M10027087P [0,2,0,0,0,0|1,0,1]=4 114 B9R0.5 O=C(OCC)COCCCl M10148096P [0,2,0,0,0,0|0,1,0]=3 115 B9R0.5 O=C(OCC)\C=C\OCC M10082130P [0,2,0,0,0,0|0,1,1]=4 116 B9R0.5 O=C(OCCCC)CC#N M10076065P [0,2,0,0,0,0|2,0,0]=4 117 B9R0.18 O=C(CCCCl)CCCCl M10243374P [0,2,0,0,0,0|2,0,0]=4 118 B9R0.34 O=C(OCC)CC(CBr)=O M10121526P [0,2,0,0,0,0|1,0,0]=3 119 B9R0.34 O=C(OCC)CC(NC)=O M10443263P [0,2,0,0,0,0|1,0,0]=3 120 B9R0.34 O=C(OCC)CC(NN)=O M10211742P [0,2,0,0,0,0|2,0,0]=4 121 B9R0.34 O=C(OCC)CC(O)CCl M10115530P [0,2,0,0,0,0|1,0,0]=3 122 B9R0.35 CCCC(C(O)CCC)=O M10012297P [0,2,0,0,0,0|2,0,0]=4 123 B9R0.35 CCCC(C(OCC)=O)=O M10254180P [0,2,0,0,0,0|1,0,0]=3 124 B9R0.35 O=C(OCC)C(Cl)OCC M10222370P [0,2,0,0,0,0|0,1,0]=3 125 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,2,0,0,0,0|1,0,0]=3 126 B9R0.48 O=C(OCC(C)C)CC#N M10123002P [0,2,0,0,0,0|2,0,0]=4 127 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,2,0,0,0,0|1,0,0]=3 128 B9R0.48 O=C(OCC)\C=C\N(C)C M10027031P [0,2,0,0,0,0|1,0,1]=4 129 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,2,0,0,0,0|1,0,1]=4 130 B9R0.6 CC(C(Cl)C(OCC)=O)=O M10015794P [0,2,0,0,0,0|1,0,0]=3 131 B9R0.6 CC(C(N)C(OCC)=O)=O M10164762P [0,2,0,0,0,0|1,0,0]=3 132 B9R0.6 CC(C)C(C(OCC)=O)=O M10164737P [0,2,0,0,0,0|1,0,1]=4 133 B9R0.6 C[C@@H](O)[C@H](N)C(OCC)=O M10241292P [0,2,0,0,0,0|1,0,0]=3 134 B9R0.19 O=C(OCC)C(C)(C)CN M10478704P [0,2,0,0,0,0|2,0,0]=4 135 B9R0.37 CCC(C#N)C(OCC)=O M10033717P [0,2,0,0,0,0|1,0,0]=3 136 B9R0.37 O=C(OCC)C(C=O)C=O M10479166P [0,2,0,0,0,0|2,0,0]=4 137 B9R0.44 CC(C)(N)CC(OCC)=O M10502863P [0,2,0,0,0,0|1,0,0]=3 138 B9R0.44 CC(C)(O)CC(OCC)=O M10154399P [0,2,0,0,0,0|1,0,0]=3 139 B9R0.44 CNNC(OC(C)(C)C)=O M10726322P [0,2,0,0,0,0|2,0,0]=4 140 B9R0.44 O=C(OC(C)(C)C)CCN M10302342P [0,2,0,0,0,0|2,0,0]=4 141 B9R0.44 O=C(OC(C)(C)C)CCO M10310106P [0,2,0,0,0,0|2,0,0]=4 142 B9R0.44 O=C(OC(C)(C)C)CNC M10740955P [0,2,0,0,0,0|1,0,0]=3 143 B7R1.1 CCC1=NCCO1 M10115051P [1,0,0,1,0,0|1,0,0]=3 144 B7R1.1 CSC1=NCCS1 M10163702P [1,0,0,1,0,0|1,1,0]=4 145 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,1,0,0|1,1,0]=4 146 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,1,0,0|2,0,0]=4 147 B7R1.2 O=C1CC(CC1)=O M10058164P [1,0,0,1,0,0|2,0,0]=4 148 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|1,0,0]=3 149 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,1,0,0|0,0,2]=4 150 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|0,1,0]=3 151 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,1,0,0|1,1,0]=4 152 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,1,0,0|1,1,0]=4 153 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|0,1,0]=3 154 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [1,0,0,1,0,0|2,0,0]=4 155 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,1,0,0|2,0,0]=4 156 B7R1.3 ClC1CCCCO1 M10051478P [1,0,0,1,0,0|1,0,1]=4 157 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,1,0,0|2,0,0]=4 158 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,1,0,0|2,0,0]=4 159 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,1,0,0|2,0,0]=4 160 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,1,0,0|2,0,0]=4 161 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,1,0,0|1,0,0]=3 162 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,1,0,0|2,0,0]=4 163 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,1,0,0|0,1,0]=3 164 B7R1.3 O=S1CCCCC1 M10067807P [1,0,0,1,0,0|2,0,0]=4 165 B7R1.4 C=C1CCOC1=O M10013811P [1,0,0,1,0,0|0,0,2]=4 166 B7R1.4 O=C1C(Br)CCC1 M10172483P [1,0,0,1,0,0|2,0,0]=4 167 B7R1.4 O=C1C(C)CCC1 M10027182P [1,0,0,1,0,0|1,0,0]=3 168 B7R1.4 O=C1C(Cl)CCC1 M10018599P [1,0,0,1,0,0|2,0,0]=4 169 B7R1.4 O=C1NCCC1O M10135336P [1,0,0,1,0,0|1,1,0]=4 170 B7R1.4 O=C1NCC[C@@H]1N M10060287P [1,0,0,1,0,0|2,0,0]=4 171 B7R1.4 O=C1NCC[C@@H]1N M10288485P [1,0,0,1,0,0|2,0,0]=4 172 B7R1.4 O=C1NCC[C@H]1O M10468150P [1,0,0,1,0,0|1,1,0]=4 173 B7R1.22 O=C([C@@H]1OC1)OC M12003527P [1,0,0,1,0,0|0,1,0]=3 174 B7R1.24 O1CCNCCC1 M10806668P [1,0,0,1,0,0|1,0,1]=4 175 B9R1.15 O=C1C(OC)COCC1 M10903127P [0,1,0,1,0,0|1,1,0]=4 176 B9R1.15 O=C1NCCCC1OC M10188359P [0,1,0,1,0,0|1,1,0]=4 177 B9R1.33 O=C1N(CCC)CCC1 M10054809P [0,1,0,1,0,0|2,0,0]=4 178 B9R1.50 O=C1NCCCCCC1 M10018116P [0,1,0,1,0,0|2,0,0]=4 179 B9R1.73 O=C(C1CCC1)OCC M10133979P [0,1,0,1,0,0|1,0,0]=3 180 B9R1.73 O=C(C1CNC1)OCC M10874942P [0,1,0,1,0,0|1,0,0]=3 181 B9R1.5 O=C1NCCCCC1N M10018058P [0,1,0,1,0,0|2,0,0]=4 182 B9R1.5 O=C1NCCCC[C@H]1N M10204271P [0,1,0,1,0,0|2,0,0]=4 183 B9R1.37 O=C1C(C(C)C(C)C1)=O M10124286P [0,1,0,1,0,0|2,0,0]=4 184 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [0,1,0,1,0,0|2,0,0]=4 185 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,1,0,1,0,0|2,0,0]=4 186 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,1,0,1,0,0|1,0,0]=3 187 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,1,0,1,0,0|2,0,0]=4