0 B5R0.5 CC(Br)C(Br)C M10073040P [0,0,0,0,0,0|2,0,0]=2 1 B5R0.5 CC(C(C)=C)=O M10021132P [0,0,0,0,0,0|1,1,2]=4 2 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,0,0,0,0|2,1,1]=4 3 B5R0.5 CC(F)C(O)=O M10083620P [0,0,0,0,0,0|2,1,1]=4 4 B5R0.5 CC(S)C(C)C M10039796P [0,0,0,0,0,0|1,0,0]=1 5 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,0,0,0,0|2,1,1]=4 6 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,0,0,0,0|2,1,1]=4 7 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,0,0|1,2,1]=4 8 B5R0.5 C[C@@H](O)[C@@H](S)C M10234757P [0,0,0,0,0,0|0,1,0]=1 9 B5R0.5 C[C@@H](O)[C@H](O)C M10184381P [0,0,0,0,0,0|0,2,0]=2 10 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,0,0,0,0|2,1,1]=4 11 B5R0.5 C[C@H](O)[C@@H](O)C M10159152P [0,0,0,0,0,0|0,2,0]=2 12 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,0,0,0,0|1,2,1]=4 13 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,0,0,0,0|1,2,1]=4 14 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,0,0,0,0|1,2,1]=4 15 B4R0.1 BrCC(Br)Br M12278717P [1,0,0,0,0,0|3,0,0]=4 16 B4R0.1 C=C(C)CBr M10031081P [1,0,0,0,0,0|2,0,1]=4 17 B4R0.1 C=CC(Cl)C M10014214P [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 CC(Br)C#N M10161139P [1,0,0,0,0,0|2,0,1]=4 19 B4R0.1 CC(Br)CCl M10050225P [1,0,0,0,0,0|2,0,0]=3 20 B4R0.1 CC(C)CI M10012803P [1,0,0,0,0,0|2,0,0]=3 21 B4R0.1 CC(CCl)=O M10001162P [1,0,0,0,0,0|1,1,1]=4 22 B4R0.1 CC(CN)=O M10110205P [1,0,0,0,0,0|1,1,1]=4 23 B4R0.1 CC(O)C=C M10195978P [1,0,0,0,0,0|0,1,2]=4 24 B4R0.1 CC(O)CCl M10004741P [1,0,0,0,0,0|1,1,0]=3 25 B4R0.1 CC(SC)=O M10032388P [1,0,0,0,0,0|1,1,1]=4 26 B4R0.1 CCC(N)=S M10017126P [1,0,0,0,0,0|1,0,2]=4 27 B4R0.1 CCC([O-])=O M10205103P [1,0,0,0,0,0|1,1,1]=4 28 B4R0.1 CCN(C)C M10015350P [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CNC(C)C M10065934P [1,0,0,0,0,0|2,0,0]=3 30 B4R0.1 COC(Cl)Cl M10067022P [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C[C@@H](N)CC M10122112P [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 C[C@@H](N)CN M10162469P [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 C[C@@H](O)C#C M10250149P [1,0,0,0,0,0|0,1,2]=4 34 B4R0.1 C[C@@H](O)CC M10133832P [1,0,0,0,0,0|0,1,0]=2 35 B4R0.1 C[C@H](O)C#C M10049007P [1,0,0,0,0,0|0,1,2]=4 36 B4R0.1 C[SiH](OC)C M10152986P [1,0,0,0,0,0|2,1,0]=4 37 B4R0.1 C\C(Br)=C\C M12004205P [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 FC(F)CCl M10008612P [1,0,0,0,0,0|3,0,0]=4 39 B4R0.1 OC(C)C[O-] M12031334P [1,0,0,0,0,0|0,2,0]=3 40 B4R0.1 ONC(C)C M10255095P [1,0,0,0,0,0|2,1,0]=4 41 B4R0.1 SCC([O-])=O M10194150P [1,0,0,0,0,0|1,1,1]=4 42 B4R0.1 SCC([O-])=O M12278138P [1,0,0,0,0,0|1,1,1]=4 43 B4R0.1 [Li]C(C)CC M10015338P [1,0,0,0,0,0|1,0,0]=2 44 B4R0.1 [Mg](Br)C(C)C M10023048P [1,0,0,0,0,0|3,0,0]=4 45 B6R0.3 CC(C(S)CC)=O M10426560P [0,1,0,0,0,0|0,1,1]=3 46 B6R0.3 CC(C)C(OC)=O M10013809P [0,1,0,0,0,0|1,1,1]=4 47 B6R0.3 CC(O)C(OC)=O M10013810P [0,1,0,0,0,0|0,2,1]=4 48 B6R0.3 C[C@H](O)C(OC)=O M10199944P [0,1,0,0,0,0|0,2,1]=4 49 B6R0.7 CC(C(C)(O)C)=O M10004002P [0,1,0,0,0,0|0,2,1]=4 50 B6R0.7 CC(C)(S)C(O)=O M10065399P [0,1,0,0,0,0|1,1,1]=4 51 B6R0.7 CC(N)C(F)(F)F M10010450P [0,1,0,0,0,0|3,0,0]=4 52 B6R0.7 CC(N)C(F)(F)F M10049650P [0,1,0,0,0,0|3,0,0]=4 53 B6R0.7 CC(O)C(F)(F)F M12018254P [0,1,0,0,0,0|2,1,0]=4 54 B6R0.7 CC([Si](C)(Cl)C)C M10056266P [0,1,0,0,0,0|2,1,0]=4 55 B6R0.7 C[SiH](C(C)(C)C)C M10207057P [0,1,0,0,0,0|2,1,0]=4 56 B6R1.9 NC1C(F)(F)C1 M10659112P [0,0,0,1,0,0|3,0,0]=4 57 B6R0.2 CC(N)CC(C)C M10444558P [0,0,0,0,0,1|2,0,0]=3 58 B6R0.2 CC(NC(C)C)C M10017887P [0,0,0,0,0,1|2,0,0]=3 59 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,0,0,0,1|1,1,1]=4 60 B6R0.2 NC(C)CC(C)C M10003493P [0,0,0,0,0,1|2,0,0]=3 61 B3R0.1 CCC#N M10003409P [2,0,0,0,0,0|1,0,1]=4 62 B3R0.1 CCC#N M10053961P [2,0,0,0,0,0|1,0,1]=4 63 B3R0.1 CCCN M10194639P [2,0,0,0,0,0|1,0,0]=3 64 B3R0.1 CCC[O-] M10018423P [2,0,0,0,0,0|0,1,0]=3 65 B3R0.1 CCC[O-] M10050959P [2,0,0,0,0,0|0,1,0]=3 66 B3R0.1 CCC[O-] M10180358P [2,0,0,0,0,0|0,1,0]=3 67 B3R0.1 CC[Mg]Br M10023187P [2,0,0,0,0,0|2,0,0]=4 68 B3R0.1 COCBr M10120227P [2,0,0,0,0,0|2,0,0]=4 69 B3R0.1 COCCl M10003424P [2,0,0,0,0,0|2,0,0]=4 70 B3R0.1 CONC M10027051P [2,0,0,0,0,0|2,0,0]=4 71 B3R0.1 C[Se][Se]C M10100996P [2,0,0,0,0,0|2,0,0]=4 72 B3R0.1 Cl[Mg]CC M10043221P [2,0,0,0,0,0|2,0,0]=4 73 B3R0.1 NCCO M10038856P [2,0,0,0,0,0|1,1,0]=4 74 B3R0.1 NOCC M10053406P [2,0,0,0,0,0|2,0,0]=4 75 B3R0.1 ONCC M10249174P [2,0,0,0,0,0|1,1,0]=4 76 B3R0.2 CC(F)F M10000886P [2,0,0,0,0,0|2,0,0]=4 77 B3R0.2 CC(I)C M10000881P [2,0,0,0,0,0|1,0,0]=3 78 B3R0.2 C[Al](C)C M10000875P [2,0,0,0,0,0|2,0,0]=4 79 B3R0.2 C[S+](C)C M10188680P [2,0,0,0,0,0|2,0,0]=4 80 B3R0.2 C[SiH](Cl)C M10025935P [2,0,0,0,0,0|1,1,0]=4 81 B3R0.2 O=[P+](C)C M10102480P [2,0,0,0,0,0|1,1,0]=4 82 B3R0.2 [Li]C(C)C M10037583P [2,0,0,0,0,0|1,0,0]=3 83 B5R0.1 C=C(OCC)C M10023218P [1,1,0,0,0,0|1,0,1]=4 84 B5R0.1 CC(C)CCI M10013642P [1,1,0,0,0,0|1,0,0]=3 85 B5R0.1 CC(C)C[Mg]Br M10023214P [1,1,0,0,0,0|2,0,0]=4 86 B5R0.1 CC(CCCl)=O M10089400P [1,1,0,0,0,0|0,1,1]=4 87 B5R0.1 CC(COC)=O M10081509P [1,1,0,0,0,0|0,1,1]=4 88 B5R0.1 CC(N)CCC M10393249P [1,1,0,0,0,0|1,0,0]=3 89 B5R0.1 CC(N)CCO M10048445P [1,1,0,0,0,0|1,0,0]=3 90 B5R0.1 CC(OCC)=N M10041195P [1,1,0,0,0,0|1,0,1]=4 91 B5R0.1 CSCS(C)=O M10220911P [1,1,0,0,0,0|1,1,0]=4 92 B5R0.1 C[C@@H](N)CCO M10335804P [1,1,0,0,0,0|1,0,0]=3 93 B5R0.1 C[C@@H](O)CC#N M10720686P [1,1,0,0,0,0|0,1,1]=4 94 B5R0.1 C[C@@H](O)COC M10067779P [1,1,0,0,0,0|0,1,0]=3 95 B5R0.1 C[C@H](N)CCO M10335803P [1,1,0,0,0,0|1,0,0]=3 96 B5R0.1 C[C@H](O)CC#N M10717808P [1,1,0,0,0,0|0,1,1]=4 97 B5R0.1 C[C@H](O)COC M10194416P [1,1,0,0,0,0|0,1,0]=3 98 B5R0.1 C[SiH](OCC)C M10133661P [1,1,0,0,0,0|1,1,0]=4 99 B5R0.1 NCCN(C)C M10003486P [1,1,0,0,0,0|2,0,0]=4 100 B5R0.1 NNCC(C)C M10843147P [1,1,0,0,0,0|2,0,0]=4 101 B5R0.3 BrCC(Br)CBr M10002451P [1,1,0,0,0,0|2,0,0]=4 102 B5R0.3 C=CC(O)CC M10016219P [1,1,0,0,0,0|0,1,1]=4 103 B5R0.3 CC(CBr)CBr M10201108P [1,1,0,0,0,0|2,0,0]=4 104 B5R0.3 CC(CCl)CBr M10099778P [1,1,0,0,0,0|2,0,0]=4 105 B5R0.3 CCC(Br)CC M10036560P [1,1,0,0,0,0|1,0,0]=3 106 B5R0.3 CCC(C)CBr M10114990P [1,1,0,0,0,0|1,0,0]=3 107 B5R0.3 CCC(C)CS M10037434P [1,1,0,0,0,0|0,0,0]=2 108 B5R0.3 CCC(CBr)=O M10021171P [1,1,0,0,0,0|0,1,1]=4 109 B5R0.3 CCC(N)CC M10016218P [1,1,0,0,0,0|1,0,0]=3 110 B5R0.3 CCC(N)CO M10120213P [1,1,0,0,0,0|1,0,0]=3 111 B5R0.3 CCC(NC)=O M10028553P [1,1,0,0,0,0|0,1,1]=4 112 B5R0.3 CCC([Mg]Br)C M10023104P [1,1,0,0,0,0|1,0,0]=3 113 B5R0.3 CCC([Mg]Cl)C M12278734P [1,1,0,0,0,0|1,0,0]=3 114 B5R0.3 CC[Al](Cl)CC M10002450P [1,1,0,0,0,0|2,0,0]=4 115 B5R0.3 OC[C@@H](O)CN M12012902P [1,1,0,0,0,0|0,2,0]=4 116 B5R0.3 O[C@H](CCl)CN M10225134P [1,1,0,0,0,0|1,1,0]=4 117 B5R0.4 CC(C)(C)CBr M10017094P [1,1,0,0,0,0|2,0,0]=4 118 B5R0.4 CC(C)(C)CN M10080700P [1,1,0,0,0,0|2,0,0]=4 119 B5R0.4 CC(C)(Cl)CC M10015192P [1,1,0,0,0,0|1,0,0]=3 120 B5R0.4 CC(F)(F)CO M10220340P [1,1,0,0,0,0|1,1,0]=4 121 B5R0.4 CC(N)(C)CN M10021064P [1,1,0,0,0,0|2,0,0]=4 122 B5R0.4 CC(O)(C)CCl M10014133P [1,1,0,0,0,0|1,1,0]=4 123 B5R0.4 CC(O)(C)CN M10048342P [1,1,0,0,0,0|1,1,0]=4 124 B5R0.4 CC([O-])(C)CC M10245286P [1,1,0,0,0,0|0,1,0]=3 125 B7R0.2 CC(N)CC(C)CC M10003248P [0,1,0,0,0,1|2,0,0]=4 126 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,1,0,0,0,1|0,1,1]=4 127 B7R0.5 CC(S)C(OCC)=O M10162587P [0,2,0,0,0,0|0,1,1]=4 128 B7R0.10 CCC(C)C(C)C=O M10218111P [0,2,0,0,0,0|1,1,0]=4 129 B7R0.10 NCC(C)[C@@H](CO)N M10491820P [0,2,0,0,0,0|2,0,0]=4 130 B7R0.10 OC[C@@H](Br)[C@H](Br)CO M10038279P [0,2,0,0,0,0|2,0,0]=4 131 B7R0.13 CC(C)C(C)(N)C#N M10127141P [0,2,0,0,0,0|2,0,0]=4 132 B5R1.2 BrC1COC1 M10239305P [1,0,0,1,0,0|1,1,0]=4 133 B5R1.2 ClC1CCC1 M10027170P [1,0,0,1,0,0|1,0,0]=3 134 B5R1.2 NC1CNC1 M10646351P [1,0,0,1,0,0|2,0,0]=4 135 B5R1.2 NC1CNC1 M10646354P [1,0,0,1,0,0|2,0,0]=4 136 B5R1.2 O=C1CSC1 M10173528P [1,0,0,1,0,0|0,1,1]=4 137 B5R1.2 OC1CNC1 M10251272P [1,0,0,1,0,0|1,1,0]=4 138 B5R1.3 CC[C@H]1OC1 M10057431P [1,0,0,1,0,0|0,1,0]=3 139 B5R1.3 CNC1CC1 M10424936P [1,0,0,1,0,0|2,0,0]=4 140 B5R1.4 N[C@H]1[C@H](N)C1 M10052054P [1,0,0,1,0,0|2,0,0]=4 141 B5R1.5 NC1(C)CC1 M10177511P [1,0,0,1,0,0|1,0,0]=3 142 B7R1.2 OC1CC(N)CC1 M10107887P [0,0,0,1,0,1|1,1,0]=4 143 B7R1.2 OC1CC(N)CC1 M10126049P [0,0,0,1,0,1|1,1,0]=4 144 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [0,0,0,1,0,1|1,1,0]=4 145 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [0,0,0,1,0,1|1,1,0]=4 146 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [0,0,0,1,0,1|1,1,0]=4 147 B7R1.4 O[C@@H]1[C@@H](N)CCC1 M10430095P [0,1,0,1,0,0|1,1,0]=4 148 B7R1.4 O[C@@H]1[C@H](N)CCC1 M10841437P [0,1,0,1,0,0|1,1,0]=4 149 B7R1.4 O[C@H]1COC[C@@H]1O M10498718P [0,1,0,1,0,0|0,2,0]=4 150 B7R1.4 O[C@H]1[C@@H](N)CCC1 M10743008P [0,1,0,1,0,0|1,1,0]=4 151 B7R1.4 O[C@H]1[C@H](N)CCC1 M10215039P [0,1,0,1,0,0|1,1,0]=4 152 B7R1.4 O[C@H]1[C@H](N)CCC1 M10430096P [0,1,0,1,0,0|1,1,0]=4 153 B7R1.4 O[C@H]1[C@H](O)CCC1 M10192705P [0,1,0,1,0,0|0,2,0]=4 154 B7R1.23 N#CC1C(C)(C)C1 M10079621P [0,1,0,1,0,0|2,0,0]=4 155 B7R1.27 CC1(C#N)C(C)C1 M10785688P [0,1,0,1,0,0|2,0,0]=4 156 B7R2.1 C1(C2CO2)CO1 M10031201P [0,0,0,2,0,0|0,2,0]=4 157 B7R0.6 CC(O)C#CC(O)C M10050361P [0,0,0,0,0,2|0,2,0]=4