0 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,0,0,0,0,0|3,0,0]=3 1 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,0,0,0,0,0|2,0,0]=2 2 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,0,0,0,0,0|2,0,0]=2 3 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,0,0,0,0,0|2,0,0]=2 4 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [0,0,0,0,0,0|2,0,1]=3 5 B7R0.9 CC(C)=CC(C)(C)C M10003432P [0,0,0,0,0,0|3,0,1]=4 6 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,0,0,0,0,0|3,0,0]=3 7 B7R0.9 C[N+](C)(CC(O)C)C M10387811P [0,0,0,0,0,0|1,0,1]=2 8 B7R0.9 O=C([O-])C[N+](C)(C)C M10015014P [0,0,0,0,0,0|0,0,1]=1 9 B6R0.2 CC(CC(C)=O)=O M10123299P [1,0,0,0,0,0|3,0,0]=4 10 B6R0.2 CC(N)CC(O)=O M10187780P [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 CC(O)CC([O-])=O M10005658P [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,0,0,0,0,0|2,0,0]=3 13 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,0,0,0,0,0|2,0,0]=3 15 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,0,0,0,0,0|2,0,0]=3 16 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,0,0,0,0,0|2,0,0]=3 17 B6R0.2 C[S+](CC([O-])=O)C M10065707P [1,0,0,0,0,0|1,0,1]=3 18 B6R0.2 O=C(Cl)C=C(C)C M10053608P [1,0,0,0,0,0|2,0,1]=4 19 B6R0.2 O=C([O-])CN(C)C M10154757P [1,0,0,0,0,0|0,0,2]=3 20 B6R0.5 C=CC[N+](C)(C)C M10050037P [1,0,0,0,0,0|1,0,0]=2 21 B6R0.5 CC(C)(C)CCO M10016750P [1,0,0,0,0,0|1,0,1]=3 22 B6R0.5 CC(C)(N)CCO M10249073P [1,0,0,0,0,0|2,0,1]=4 23 B6R0.5 CC(C)(OC=C)C M10023189P [1,0,0,0,0,0|3,0,0]=4 24 B6R0.5 CCC[N+](C)(C)C M10034255P [1,0,0,0,0,0|1,0,1]=3 25 B6R0.5 C[N+](C)(CC=C)C M10180899P [1,0,0,0,0,0|1,0,0]=2 26 B6R0.5 OCC[N+](C)(C)C M10004571P [1,0,0,0,0,0|0,0,1]=2 27 B6R0.5 OCC[N+](C)(C)C M10493787P [1,0,0,0,0,0|0,0,1]=2 28 B8R0.24 C=CC(NC(C)(C)C)=O M10003449P [0,1,0,0,0,0|3,0,0]=4 29 B8R0.24 O=C(OC(C)(C)C)CN M10092202P [0,1,0,0,0,0|3,0,0]=4 30 B8R0.24 O=C(OC(C)(C)C)CO M10254830P [0,1,0,0,0,0|2,0,0]=3 31 B8R0.24 O=C(OC(C)(C)C)NC M10140415P [0,1,0,0,0,0|3,0,0]=4 32 B8R0.27 CC(C)(C)[C@@H](N)C(O)=O M10195289P [0,1,0,0,0,0|1,0,0]=2 33 B8R0.27 CC(C)(O)[C@@H](N)C(O)=O M10042100P [0,1,0,0,0,0|2,0,0]=3 34 B8R0.27 CC(C)(O)[C@H](N)C(O)=O M10042094P [0,1,0,0,0,0|2,0,0]=3 35 B8R0.27 N[C@@H](C(C)(C)C)C(N)=O M10458628P [0,1,0,0,0,0|2,0,0]=3 36 B8R0.34 CC(CC(SC)(C)C)=O M10180522P [0,1,0,0,0,0|2,0,0]=3 37 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,0,0,1,0,0|1,0,0]=2 38 B8R1.77 O=C(C1C(F)(F)C1)O M10667522P [0,0,0,1,0,0|3,0,0]=4 39 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,0,0,1,0,0|1,0,0]=2 40 B6R0.7 CC(C(C)(O)C)=O M10004002P [0,0,0,0,1,0|3,0,0]=4 41 B6R0.7 CC(C)(Br)C(Cl)=O M12277198P [0,0,0,0,1,0|3,0,0]=4 42 B6R0.7 CC(C)(Br)C(N)=O M10105866P [0,0,0,0,1,0|3,0,0]=4 43 B6R0.7 CC(C)(C)C(N)=O M10019870P [0,0,0,0,1,0|2,0,0]=3 44 B6R0.7 CC(C)(C)C([O-])=O M10179561P [0,0,0,0,1,0|1,0,1]=3 45 B6R0.7 CC(C)(Cl)C(O)=O M10015207P [0,0,0,0,1,0|2,0,0]=3 46 B6R0.7 CC(C)(F)C(O)=O M10396272P [0,0,0,0,1,0|2,0,0]=3 47 B6R0.7 CC(C)(S)C(O)=O M10065399P [0,0,0,0,1,0|2,0,0]=3 48 B6R0.7 CC(F)(F)C(O)=O M10009569P [0,0,0,0,1,0|3,0,0]=4 49 B6R0.7 CC(O)(C)C(N)=O M10119909P [0,0,0,0,1,0|3,0,0]=4 50 B8R0.29 CC(C#C[Si](C)(C)C)=O M10082010P [0,0,0,0,0,1|2,0,1]=4 51 B8R0.29 CC(NOC(C)=O)(C)C M10999973P [0,0,0,0,0,1|3,0,0]=4 52 B8R0.29 O=C(O)CCS(=O)(C)=O M10017606P [0,0,0,0,0,1|3,0,0]=4 53 B8R0.29 O=C(O)CNC(C)(C)C M10097629P [0,0,0,0,0,1|1,0,0]=2 54 B8R0.29 O=C(O)CNC(C)(C)C M10301470P [0,0,0,0,0,1|1,0,0]=2 55 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|0,0,2]=4 59 B5R0.4 CC(C)(C)CBr M10017094P [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC(C)(C)CN M10080700P [2,0,0,0,0,0|2,0,0]=4 61 B5R0.4 CC(C)(N=O)C M12050084P [2,0,0,0,0,0|2,0,0]=4 62 B5R0.4 CC(C)(OO)C M10000929P [2,0,0,0,0,0|2,0,0]=4 63 B5R0.4 ONC(C)(C)C M10144141P [2,0,0,0,0,0|2,0,0]=4 64 B5R0.4 ONC(C)(C)C M10295483P [2,0,0,0,0,0|2,0,0]=4 65 B5R0.4 ONC(C)(C)C M10846282P [2,0,0,0,0,0|2,0,0]=4 66 B5R0.4 [Li]C[Si](C)(C)C M10036728P [2,0,0,0,0,0|2,0,0]=4 67 B7R0.2 CC(N)CC(OC)=O M10083532P [1,1,0,0,0,0|2,0,0]=4 68 B7R0.2 CC(O)CC(OC)=O M10031579P [1,1,0,0,0,0|2,0,0]=4 69 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [1,1,0,0,0,0|2,0,0]=4 70 B7R0.2 O=C(O)CC(O)CN M10190010P [1,1,0,0,0,0|2,0,0]=4 71 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [1,1,0,0,0,0|2,0,0]=4 72 B7R0.2 OCC(OC(C)C)=O M10016659P [1,1,0,0,0,0|2,0,0]=4 73 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [1,1,0,0,0,0|2,0,0]=4 74 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [1,1,0,0,0,0|1,0,1]=4 75 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [1,1,0,0,0,0|2,0,0]=4 76 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [1,1,0,0,0,0|1,0,0]=3 77 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [1,1,0,0,0,0|0,0,2]=4 78 B7R0.8 O=CC#C[Si](C)(C)C M10049740P [1,1,0,0,0,0|1,0,1]=4 79 B7R0.13 C#CC(C)(C)C(O)=O M10289912P [0,1,0,0,1,0|1,0,1]=4 80 B7R0.13 C=CC(C)(C)C(O)=O M10113674P [0,1,0,0,1,0|1,0,1]=4 81 B7R0.13 CC(C)(ON)C(O)=O M10581540P [0,1,0,0,1,0|2,0,0]=4 82 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [0,1,0,0,1,0|2,0,0]=4 83 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [0,1,0,0,1,0|2,0,0]=4 84 B7R0.13 N[C@@](CO)(C)C(O)=O M10482199P [0,1,0,0,1,0|2,0,0]=4 85 B7R0.13 O=C(N)C(C)(C)CN M10858578P [0,1,0,0,1,0|2,0,0]=4 86 B7R0.13 O=C(O)C(C)(C)CO M10066659P [0,1,0,0,1,0|1,0,0]=3 87 B7R0.13 O=C(O)[C@@](C)(N)CO M10145330P [0,1,0,0,1,0|2,0,0]=4 88 B9R0.21 O=C(OC)C#C[Si](C)(C)C M10248122P [0,1,0,0,0,1|1,0,1]=4 89 B9R0.44 CC(C)(N)CC(OCC)=O M10502863P [0,2,0,0,0,0|2,0,0]=4 90 B9R0.44 CC(C)(O)CC(OCC)=O M10154399P [0,2,0,0,0,0|2,0,0]=4 91 B9R0.44 O=C(OC(C)(C)C)CCO M10310106P [0,2,0,0,0,0|2,0,0]=4 92 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,1,0,0|2,0,0]=4 93 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|1,0,1]=4 94 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|2,0,0]=4 95 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|2,0,0]=4 96 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [1,0,0,1,0,0|2,0,0]=4 97 B7R1.19 O=C(C1(C)CC1)N M10139369P [0,0,0,1,1,0|2,0,0]=4 98 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,1,0,1,0,0|2,0,0]=4 99 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,1,0,1,0,0|2,0,0]=4 100 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,1,0,1,0,0|1,0,0]=3 101 B5R0.5 CC(C)C([O-])=O M10209916P [1,0,0,0,1,0|1,0,1]=4 102 B5R0.5 CC(F)C(O)=O M10083620P [1,0,0,0,1,0|2,0,0]=4 103 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [1,0,0,0,1,0|2,0,0]=4 104 B5R0.5 C[C@@H](O)C(O)=O M10114112P [1,0,0,0,1,0|2,0,0]=4 105 B5R0.5 C[C@H](Br)C(O)=O M10217830P [1,0,0,0,1,0|2,0,0]=4 106 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [1,0,0,0,0,1|1,0,1]=4 107 B7R0.6 C[S+](CCC(O)=O)C M10062116P [1,0,0,0,0,1|1,0,0]=3 108 B7R0.6 O=C(Cl)OCC(C)C M10013714P [1,0,0,0,0,1|2,0,0]=4 109 B7R0.6 O=C(O)CCN(C)C M10133339P [1,0,0,0,0,1|0,0,1]=3 110 B9R0.56 C[N+](C)(C)CCCC(O)=O M10085429P [0,0,0,0,0,2|0,0,0]=2