0 B8R0.5 CC(N)CC(OCC)=O M10070569P [0,0,0,0,0,0|1,0,1]=2 1 B8R0.5 C[C@H](O)CC(OCC)=O M10290748P [0,0,0,0,0,0|0,0,2]=2 2 B8R0.5 O=C(OCC)CC(N)=S M10125318P [0,0,0,0,0,0|1,1,0]=2 3 B7R0.2 CC(N)CC(OC)=O M10083532P [1,0,0,0,0,0|1,0,1]=3 4 B7R0.2 CC(O)CC(OC)=O M10031579P [1,0,0,0,0,0|0,0,2]=3 5 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [1,0,0,0,0,0|1,0,1]=3 6 B7R0.2 O=C(OC)C[N+]([O-])=O M10044460P [1,0,0,0,0,0|2,0,0]=3 7 B7R0.4 CC(CCCCBr)=O M10113189P [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCCCCC(Cl)=O M10005436P [1,0,0,0,0,0|2,0,1]=4 9 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [1,0,0,0,0,0|1,0,1]=3 10 B7R0.4 O=C(O)CCOCC M10062024P [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 O=C(O)COCCC M10276951P [1,0,0,0,0,0|3,0,0]=4 12 B7R0.7 C=C(OCC)OCC M10046654P [1,0,0,0,0,0|2,0,1]=4 13 B7R0.7 CCCC(OCCl)=O M10221194P [1,0,0,0,0,0|1,0,1]=3 14 B7R0.7 C\C=C\C(OCC)=O M10116065P [1,0,0,0,0,0|0,0,1]=2 15 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [1,0,0,0,0,0|2,0,1]=4 16 B7R0.7 O=C(OCC)CCS M10076471P [1,0,0,0,0,0|0,1,1]=3 17 B7R0.7 O=C(OCC)CNN M10098052P [1,0,0,0,0,0|2,0,0]=3 18 B7R0.7 O=C(OCC)\C=C\I M10215517P [1,0,0,0,0,0|1,0,1]=3 19 B7R0.7 O=C(OCCl)OCC M10226366P [1,0,0,0,0,0|2,0,1]=4 20 B7R0.7 O=S(OCC)OCC M10016673P [1,0,0,0,0,0|2,0,1]=4 21 B9R0.4 CC(CC(OCC=C)=O)=O M10027087P [0,1,0,0,0,0|0,0,1]=2 22 B9R0.4 CC(OC(C)=O)COCC M10278996P [0,1,0,0,0,0|2,0,1]=4 23 B9R0.6 CC(C(C(OCC)=O)=O)=O M10035324P [0,1,0,0,0,0|0,0,1]=2 24 B9R0.6 CC(C(Cl)C(OCC)=O)=O M10015794P [0,1,0,0,0,0|0,0,0]=1 25 B9R0.6 CC(C(N)C(OCC)=O)=O M10164762P [0,1,0,0,0,0|0,0,0]=1 26 B9R0.6 CC(C)C(C(OCC)=O)=O M10164737P [0,1,0,0,0,0|1,0,2]=4 27 B9R0.6 C[C@@H](O)[C@H](N)C(OCC)=O M10241292P [0,1,0,0,0,0|0,0,2]=3 28 B9R0.34 CCCC(O)CC(OC)=O M10169115P [0,1,0,0,0,0|1,0,2]=4 29 B9R0.34 O=C(OCC)CC(CBr)=O M10121526P [0,1,0,0,0,0|0,0,0]=1 30 B9R0.34 O=C(OCC)CC(NC)=O M10443263P [0,1,0,0,0,0|0,0,0]=1 31 B9R0.34 O=C(OCC)CC(NN)=O M10211742P [0,1,0,0,0,0|1,0,0]=2 32 B9R0.34 O=C(OCC)CC(O)CCl M10115530P [0,1,0,0,0,0|0,0,2]=3 33 B9R0.44 CC(C)(N)CC(OCC)=O M10502863P [0,1,0,0,0,0|1,0,1]=3 34 B9R0.44 CC(C)(O)CC(OCC)=O M10154399P [0,1,0,0,0,0|0,0,2]=3 35 B9R1.13 O=C(O)CC1OCCC1 M10043869P [0,0,0,1,0,0|2,0,1]=4 36 B9R1.34 O=C1CC(C)NC(C)C1 M11091903P [0,0,0,1,0,0|2,0,1]=4 37 B9R1.34 O=C1CC(CC(C)C1)=O M10062153P [0,0,0,1,0,0|1,0,0]=2 38 B9R1.41 O=C1OC=CN1C(C)=O M10316975P [0,0,0,1,0,0|1,0,2]=4 39 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,0,0,1,0,0|0,0,2]=3 40 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,0,0,1,0,0|1,0,0]=2 41 B7R0.5 CC(Br)C(OCC)=O M10013455P [0,0,0,0,1,0|1,0,1]=3 42 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,0,0,0,1,0|1,0,0]=2 43 B7R0.5 CC(C)C(OCCl)=O M10342363P [0,0,0,0,1,0|2,0,1]=4 44 B7R0.5 CC(S)C(OCC)=O M10162587P [0,0,0,0,1,0|0,1,1]=3 45 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,0,0,0,1,0|3,0,0]=4 46 B7R0.5 C[C@@H](Cl)C(OCC)=O M10248724P [0,0,0,0,1,0|1,0,1]=3 47 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,0,0,0,1,0|0,0,2]=3 48 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,0,0,0,1,0|1,0,0]=2 49 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,0,0,0,1,0|1,0,0]=2 50 B7R0.5 O=C(OCC)N(Cl)Cl M10125853P [0,0,0,0,1,0|3,0,0]=4 51 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,0,0,0,0,1|1,0,1]=3 52 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,0,0,0,0,1|2,0,0]=3 53 B9R0.48 O=C(OCC)\C=C\C(Cl)=O M10193577P [0,0,0,0,0,1|1,0,1]=3 54 B9R0.48 O=C(OCC)\C=C\N(C)C M10027031P [0,0,0,0,0,1|2,0,1]=4 55 B6R0.1 C=CC(NCC)=O M10081542P [2,0,0,0,0,0|1,0,1]=4 56 B6R0.1 C=CC(OCC)=O M10186126P [2,0,0,0,0,0|0,0,1]=3 57 B6R0.1 CC#CC(OC)=O M10179372P [2,0,0,0,0,0|0,0,2]=4 58 B6R0.1 C\C=C\C(OC)=O M10156893P [2,0,0,0,0,0|0,0,1]=3 59 B6R0.1 O=C(C#N)OCC M10016649P [2,0,0,0,0,0|1,0,1]=4 60 B6R0.1 O=C(OC)CCN M10060379P [2,0,0,0,0,0|1,0,1]=4 61 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [2,0,0,0,0,0|1,0,1]=4 62 B6R0.1 O=C(OCC)CBr M10003242P [2,0,0,0,0,0|1,0,0]=3 63 B6R0.1 O=C(OCC)CN M10011247P [2,0,0,0,0,0|1,0,0]=3 64 B6R0.2 CC(CC(C)=O)=O M10123299P [2,0,0,0,0,0|0,0,0]=2 65 B6R0.2 CC(N)CC(O)=O M10187780P [2,0,0,0,0,0|1,0,1]=4 66 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [2,0,0,0,0,0|0,0,2]=4 67 B6R0.2 C[C@H](N)CC(O)=O M10057573P [2,0,0,0,0,0|1,0,1]=4 68 B6R0.2 C[C@H](N)CC(O)=O M10302309P [2,0,0,0,0,0|1,0,1]=4 69 B6R0.2 C[C@H](O)CC(O)=O M10084600P [2,0,0,0,0,0|0,0,2]=4 70 B6R0.4 CC(CCCBr)=O M10058337P [2,0,0,0,0,0|1,0,1]=4 71 B6R0.4 CC\C=C\C(O)=O M10016889P [2,0,0,0,0,0|1,0,1]=4 72 B6R0.4 CC\C=C\C([O-])=O M12008293P [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 O=C(O)CCOC M10045190P [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 O=C(O)COCC M10016894P [2,0,0,0,0,0|1,0,0]=3 75 B8R0.2 C[C@H](O)[C@@H](N)C(OC)=O M10315071P [1,1,0,0,0,0|0,0,2]=4 76 B8R0.2 N[C@H](C(C)C)C(OC)=O M10013347P [1,1,0,0,0,0|1,0,1]=4 77 B8R0.19 CCC(CC(CC)=O)=O M10105284P [1,1,0,0,0,0|0,0,0]=2 78 B8R0.19 O=C(OC(CCl)=O)CCl M10013666P [1,1,0,0,0,0|2,0,0]=4 79 B8R0.19 O=C(OC)CC(O)CCl M10115529P [1,1,0,0,0,0|0,0,2]=4 80 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [1,1,0,0,0,0|0,0,2]=4 81 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [1,1,0,0,0,0|0,0,2]=4 82 B8R0.7 O=C(Cl)OCCOCC M10016994P [1,1,0,0,0,0|1,0,1]=4 83 B8R0.1 O=C(OCC)CCCBr M10049666P [1,1,0,0,0,0|0,0,1]=3 84 B8R0.1 O=C(OCC)CCCCl M10051695P [1,1,0,0,0,0|0,0,1]=3 85 B8R0.1 O=C(OCC)CCCN M10097497P [1,1,0,0,0,0|0,0,1]=3 86 B8R0.1 O=C(OCC)COCC M10021200P [1,1,0,0,0,0|0,0,1]=3 87 B8R0.1 O=C(OCC)NCCCl M10089881P [1,1,0,0,0,0|1,0,1]=4 88 B8R0.1 O=C(OCC)\C=C/C#N M10243264P [1,1,0,0,0,0|0,0,2]=4 89 B8R0.1 O=C(OCC)\C=C\C=O M10049575P [1,1,0,0,0,0|0,0,1]=3 90 B8R0.1 O=C(OCC)\C=C\CBr M10234278P [1,1,0,0,0,0|0,0,1]=3 91 B8R0.3 CCC(C(OCC)=O)=O M10139497P [1,1,0,0,0,0|0,0,2]=4 92 B8R0.3 N[C@H](CC)C(OCC)=O M10388706P [1,1,0,0,0,0|0,0,1]=3 93 B8R0.14 CC(C)(C)C(OCC)=O M10058723P [0,1,0,0,1,0|1,0,1]=4 94 B8R0.14 CC(F)(F)C(OCC)=O M10203528P [0,1,0,0,1,0|1,0,1]=4 95 B10R0.26 CN(CC(OCC)=O)C(N)=N M10136398P [0,1,0,0,0,1|2,0,0]=4 96 B10R0.26 O=C(OCC)CN(C)C(N)=N M10136397P [0,1,0,0,0,1|2,0,0]=4 97 B10R0.32 CC(C)CC(C(OCC)=O)=O M10192294P [0,1,0,0,0,1|1,0,1]=4 98 B10R0.78 O=C(O)CNC(CCCC)=O M10182715P [0,1,0,0,0,1|2,0,0]=4 99 B10R0.6 CC(CC(OCCOC)=O)=O M10175460P [0,2,0,0,0,0|0,0,0]=2 100 B10R0.44 CC(CC(CC(OC)=O)=O)=O M10207220P [0,2,0,0,0,0|1,0,1]=4 101 B10R0.35 CCC(C(F)C(OCC)=O)=O M10019980P [0,2,0,0,0,0|0,0,0]=2 102 B10R0.36 CC(C(Cl)(Cl)C(OCC)=O)=O M10084164P [0,2,0,0,0,0|0,0,0]=2 103 B10R0.36 CC(C(F)(F)C(OCC)=O)=O M10041931P [0,2,0,0,0,0|0,0,0]=2 104 B10R0.36 O=C(O)C(C)(C)C(OCC)=O M10076856P [0,2,0,0,0,0|1,0,0]=3 105 B10R0.101 CC(C(C#N)C(OCC)=O)=O M10017201P [0,2,0,0,0,0|0,0,0]=2 106 B10R0.2 CCCC(O)CC(OCC)=O M10042346P [0,2,0,0,0,0|0,0,2]=4 107 B10R0.2 O=C(OCC)CC(OCC)=N M10042505P [0,2,0,0,0,0|1,0,0]=3 108 B10R0.2 O=C(OCC)CC(OCC)=N M10197563P [0,2,0,0,0,0|1,0,0]=3 109 B10R0.2 O=C(OCC)C[C@@H](O)CC#N M10856685P [0,2,0,0,0,0|0,0,2]=4 110 B10R0.31 C[C@H](O)CC(OC(C)(C)C)=O M10488136P [0,2,0,0,0,0|0,0,2]=4 111 B8R1.4 O=C1CC(COC1)=O M10331423P [1,0,0,1,0,0|1,0,0]=3 112 B8R1.4 O=C1CC(CSC1)=O M10096924P [1,0,0,1,0,0|1,0,0]=3 113 B8R1.4 O=C1CN(C)CCC1 M10077248P [1,0,0,1,0,0|2,0,0]=4 114 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [1,0,0,1,0,0|1,0,1]=4 115 B8R1.18 O=C1NC(CN1C)=O M10016204P [1,0,0,1,0,0|2,0,0]=4 116 B8R1.51 O=C1CCS(C1)(=O)=O M10147341P [1,0,0,1,0,0|2,0,0]=4 117 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [1,0,0,1,0,0|2,0,0]=4 118 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [1,0,0,1,0,0|2,0,0]=4 119 B8R1.7 O=C(C1=COCC1)O M10633740P [1,0,0,1,0,0|1,0,1]=4 120 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [1,0,0,1,0,0|1,0,1]=4 121 B8R1.7 O=C([C@H]1COCC1)O M10421829P [1,0,0,1,0,0|1,0,1]=4 122 B8R1.22 O=C1CCNCCC1 M10254302P [1,0,0,1,0,0|1,0,1]=4 123 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [0,0,0,1,1,0|2,0,0]=4 124 B10R1.64 O=C(O)CN1C(CCC1)=O M10273605P [0,0,0,1,0,1|2,0,0]=4 125 B10R1.64 O=C(O)CN1CCNC1=O M10510857P [0,0,0,1,0,1|2,0,0]=4 126 B10R1.113 O=C(C1CC(NCC1)=O)O M10185359P [0,0,0,1,0,1|2,0,0]=4 127 B10R1.140 O=C(C1CC(C1)=O)OCC M10510381P [0,0,0,1,0,1|0,0,0]=2 128 B10R1.140 O=C(C1CC(O)C1)OCC M10147947P [0,0,0,1,0,1|0,0,2]=4 129 B10R1.140 O=C([C@H]1C[C@@H](N)C1)OCC M10089814P [0,0,0,1,0,1|1,0,1]=4 130 B10R1.61 O=C1C(C(C)=O)CCCC1 M10022320P [0,1,0,1,0,0|1,0,0]=3 131 B10R1.137 O=C(OCC)C=C1COC1 M11075198P [0,1,0,1,0,0|0,0,2]=4 132 B10R1.149 O=C(C1C(CCS1)=O)OC M10046762P [0,1,0,1,0,0|2,0,0]=4 133 B10R1.256 O=C1C(CC)=C(C)C(N1)=O M10164665P [0,1,0,1,0,0|2,0,0]=4 134 B10R1.329 O=C1CC(CC(N1)(C)C)=O M10069875P [0,1,0,1,0,0|1,0,0]=3 135 B6R0.3 C=C(F)C(OC)=O M10042642P [1,0,0,0,1,0|1,0,1]=4 136 B6R0.3 CC(C(CBr)=O)=O M10070633P [1,0,0,0,1,0|1,0,0]=3 137 B6R0.3 CC(C(NC)=O)=C M10058367P [1,0,0,0,1,0|2,0,0]=4 138 B6R0.3 CC(C(S)CC)=O M10426560P [1,0,0,0,1,0|0,1,1]=4 139 B6R0.3 CC(C)C(OC)=O M10013809P [1,0,0,0,1,0|1,0,1]=4 140 B6R0.3 CC(O)C(OC)=O M10013810P [1,0,0,0,1,0|0,0,2]=4 141 B6R0.3 CCC(C(O)=O)=C M10055842P [1,0,0,0,1,0|2,0,0]=4 142 B6R0.3 C[C@H](O)C(OC)=O M10199944P [1,0,0,0,1,0|0,0,2]=4 143 B10R0.3 C=C(C)CCCC(OCC)=O M10239653P [0,0,0,0,0,2|1,0,0]=3 144 B10R0.3 O=C(OCC)CCCC(Cl)=O M10069640P [0,0,0,0,0,2|1,0,0]=3 145 B10R0.3 O=C(OCC)CCNC(C)C M10141409P [0,0,0,0,0,2|1,0,1]=4