0 B7R0.6 CC(C)CCB(O)O M10634235P [0,0,0,0,0,0|1,0,1]=2 1 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,0,0,0,0,0|0,0,2]=2 2 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,0,0,0,0,0|1,0,2]=3 3 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,0,0,0,0,0|2,0,2]=4 4 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,0,0,0,0,0|1,0,0]=1 5 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,0,0,0,0,0|1,0,2]=3 6 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,0,0,0,0,0|2,0,0]=2 7 B7R0.6 O=C(O)CCN(C)C M10133339P [0,0,0,0,0,0|1,0,0]=1 8 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,0,0,0,0,0|2,0,2]=4 9 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,0,0,0,0,0|2,0,2]=4 10 B6R0.4 C#CCCC(O)=O M10083651P [1,0,0,0,0,0|0,0,2]=3 11 B6R0.4 C=CCCC(Cl)=O M10240332P [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 CC(C)CCC=O M10027096P [1,0,0,0,0,0|0,0,0]=1 13 B6R0.4 CC(C)CCCBr M10016880P [1,0,0,0,0,0|1,0,1]=3 14 B6R0.4 CC(C)CCCO M10016881P [1,0,0,0,0,0|0,0,1]=2 15 B6R0.4 CC(C)CN=C=O M10037383P [1,0,0,0,0,0|1,0,1]=3 16 B6R0.4 CC(CCC=C)=O M10003621P [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CC(CCCBr)=O M10058337P [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(NCCCl)C M10088269P [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CC(NCCO)=O M10005418P [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 CC(O)CCCO M10016886P [1,0,0,0,0,0|1,0,1]=3 21 B6R0.4 CC(OCCBr)C M10275026P [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CC(OCCO)=O M10013697P [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CC\C=C\C(O)=O M10016889P [1,0,0,0,0,0|0,0,2]=3 24 B6R0.4 CC\C=C\C([O-])=O M12008293P [1,0,0,0,0,0|0,0,3]=4 25 B6R0.4 CN(C)CCCBr M10273573P [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CN(CCCCl)C M10003627P [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CNCCN(C)C M10005417P [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 N#CCCN(C)C M10035584P [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 O=C(Cl)CCCBr M10023246P [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 O=C(Cl)OCCCl M10016902P [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 O=C(N)NCCO M10039744P [1,0,0,0,0,0|3,0,0]=4 32 B6R0.4 O=C(O)CCC#N M10140304P [1,0,0,0,0,0|1,0,1]=3 33 B6R0.4 O=C(O)CCCCl M10016891P [1,0,0,0,0,0|1,0,0]=2 34 B6R0.4 O=C(O)CCOC M10045190P [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 O=C(O)CCSC M10017612P [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 O=C(O)COCC M10016894P [1,0,0,0,0,0|1,0,0]=2 37 B6R0.4 O=C(O)\C=C\CBr M10127900P [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 O=C([O-])CNCO M10437440P [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 O=CCC[N+]([O-])=O M10302523P [1,0,0,0,0,0|3,0,0]=4 40 B6R0.4 O=NOCC(C)C M10013695P [1,0,0,0,0,0|2,0,0]=3 41 B6R0.4 O=[Sn](CCCC)O M10042008P [1,0,0,0,0,0|1,0,0]=2 42 B6R0.4 S=C(N)NCCC M10023251P [1,0,0,0,0,0|2,1,0]=4 43 B8R0.9 C=CC(OCC(O)C)=O M10024755P [0,1,0,0,0,0|3,0,0]=4 44 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,1,0,0,0,0|1,0,1]=3 45 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,1,0,0,0,0|1,0,1]=3 46 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,1,0,0,0,0|2,0,1]=4 47 B8R0.9 OCC(O)CNC(C)C M10092153P [0,1,0,0,0,0|1,0,2]=4 48 B8R0.23 CC(C(CC(C)C)=C)=O M10028564P [0,1,0,0,0,0|1,0,1]=3 49 B8R0.23 CC(C(CC(C)C)=O)=O M10125906P [0,1,0,0,0,0|1,0,1]=3 50 B8R0.23 CC(C)CC(C([O-])=O)=O M10616782P [0,1,0,0,0,0|0,0,2]=3 51 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,1,0,0,0,0|0,0,0]=1 52 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,1,0,0,0,0|0,0,0]=1 53 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,1,0,0,0,0|2,0,1]=4 54 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,1,0,0,0,0|2,0,1]=4 55 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,1,0,0,0,0|2,0,0]=3 56 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,1,0,0,0,0|2,0,1]=4 57 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,1,0,0,0,0|2,0,1]=4 58 B8R0.29 CC(NOC(C)=O)(C)C M10999973P [0,1,0,0,0,0|3,0,0]=4 59 B8R0.29 O=C(O)CCC(F)(F)F M10010362P [0,1,0,0,0,0|2,0,0]=3 60 B8R0.29 O=C(O)CCS(=O)(C)=O M10017606P [0,1,0,0,0,0|2,0,0]=3 61 B8R0.29 O=C(O)CCS(=O)(N)=O M10136857P [0,1,0,0,0,0|3,0,0]=4 62 B8R0.29 O=C(O)CNC(C)(C)C M10097629P [0,1,0,0,0,0|1,0,0]=2 63 B8R0.29 O=C(O)CNC(C)(C)C M10301470P [0,1,0,0,0,0|1,0,0]=2 64 B8R1.3 N[C@H]1CC[C@H](C)CC1 M10220545P [0,0,0,1,0,0|2,0,1]=4 65 B8R1.3 O=C1CCC(C)=NN1 M10069197P [0,0,0,1,0,0|2,0,1]=4 66 B8R1.3 OC1CCC(C)CC1 M10014985P [0,0,0,1,0,0|1,0,1]=3 67 B8R1.3 OC1CCC(N)CC1 M10096706P [0,0,0,1,0,0|2,0,1]=4 68 B8R1.3 O[C@H]1CC[C@H](C)CC1 M10110148P [0,0,0,1,0,0|1,0,1]=3 69 B8R1.3 O[C@H]1CC[C@H](O)CC1 M10100025P [0,0,0,1,0,0|2,0,1]=4 70 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,0,0,1,0,0|3,0,0]=4 71 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,0,0,1,0,0|0,0,0]=1 72 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,0,0,1,0,0|1,0,0]=2 73 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,0,0,1,0,0|2,0,1]=4 74 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,0,0,1,0,0|1,0,0]=2 75 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,0,0,1,0,0|1,0,0]=2 76 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,0,0,1,0,0|1,0,0]=2 77 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,0,0,1,0,0|1,0,0]=2 78 B8R1.51 NC1CCS(C1)(=O)=O M10260914P [0,0,0,1,0,0|2,0,1]=4 79 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,0,0,1,0,0|0,0,0]=1 80 B8R1.77 O=C(C1C(F)(F)C1)O M10667522P [0,0,0,1,0,0|2,0,0]=3 81 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,0,0,1,0,0|0,0,0]=1 82 B6R0.2 CC(CC(C)=O)=O M10123299P [0,0,0,0,1,0|2,0,1]=4 83 B6R0.2 CC(N)CC(C)C M10444558P [0,0,0,0,1,0|2,0,1]=4 84 B6R0.2 CC(N)CC(O)=O M10187780P [0,0,0,0,1,0|1,0,0]=2 85 B6R0.2 CC(O)CC([O-])=O M10005658P [0,0,0,0,1,0|1,0,1]=3 86 B6R0.2 CC(OC(Br)C)=O M10242154P [0,0,0,0,1,0|3,0,0]=4 87 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,0,0,0,1,0|1,0,0]=2 88 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,0,0,0,1,0|1,0,1]=3 89 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,0,0,0,1,0|1,0,0]=2 90 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,0,0,0,1,0|1,0,0]=2 91 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,0,0,0,1,0|1,0,0]=2 92 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,0,0,0,1,0|1,0,1]=3 93 B6R0.2 NC(C)CC(C)C M10003493P [0,0,0,0,1,0|2,0,1]=4 94 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,0,0,0,1,0|1,0,2]=4 95 B6R0.2 O=C([O-])CN(C)C M10154757P [0,0,0,0,1,0|1,0,1]=3 96 B8R0.28 CC(C)C[AlH]CC(C)C M10028658P [0,0,0,0,0,1|2,0,1]=4 97 B8R0.28 CC(CCC=C(C)C)=O M10003758P [0,0,0,0,0,1|1,0,1]=3 98 B8R0.28 CC(OCC=C(C)C)=O M10028659P [0,0,0,0,0,1|1,0,2]=4 99 B8R0.28 NC(C)CCCC(C)C M10013728P [0,0,0,0,0,1|2,0,1]=4 100 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,0,0,0,0,1|1,0,0]=2 101 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,0,0,0,0,1|2,0,1]=4 102 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,0,0,0,0,1|1,0,1]=3 103 B8R0.28 [NH2+]=C(N)SCCC(O)=O M10073898P [0,0,0,0,0,1|2,0,1]=4 104 B5R0.1 C=COC(C)C M10023217P [2,0,0,0,0,0|1,0,1]=4 105 B5R0.1 CC(C)CCI M10013642P [2,0,0,0,0,0|1,0,0]=3 106 B5R0.1 CC(C)C[Mg]Br M10023214P [2,0,0,0,0,0|2,0,0]=4 107 B5R0.1 CC(CCCl)=O M10089400P [2,0,0,0,0,0|2,0,0]=4 108 B5R0.1 CC(COC)=O M10081509P [2,0,0,0,0,0|2,0,0]=4 109 B5R0.1 CC(N)CCC M10393249P [2,0,0,0,0,0|1,0,1]=4 110 B5R0.1 CC(N)CCO M10048445P [2,0,0,0,0,0|1,0,0]=3 111 B5R0.1 C[C@@H](N)CCO M10335804P [2,0,0,0,0,0|1,0,0]=3 112 B5R0.1 C[C@H](N)CCO M10335803P [2,0,0,0,0,0|1,0,0]=3 113 B5R0.1 NCCN(C)C M10003486P [2,0,0,0,0,0|2,0,0]=4 114 B5R0.1 NNCC(C)C M10843147P [2,0,0,0,0,0|2,0,0]=4 115 B5R0.1 O=C(O)CCF M10011311P [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 O=C(O)CCO M10012525P [2,0,0,0,0,0|1,0,0]=3 117 B5R0.1 O=C([O-])CNC M10061947P [2,0,0,0,0,0|1,0,1]=4 118 B5R0.1 O=NOC(C)C M10013647P [2,0,0,0,0,0|2,0,0]=4 119 B5R0.2 C=CCCCCl M10023281P [2,0,0,0,0,0|2,0,0]=4 120 B5R0.2 C=CCOCC M10014106P [2,0,0,0,0,0|2,0,0]=4 121 B5R0.2 CCCN=C=O M10003745P [2,0,0,0,0,0|1,0,1]=4 122 B5R0.2 CCCOC=C M10020114P [2,0,0,0,0,0|2,0,0]=4 123 B5R0.2 CCSCCO M10003744P [2,0,0,0,0,0|1,0,1]=4 124 B5R0.2 Cl[Mg]CCCC M10018540P [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 OCCCCBr M10196369P [2,0,0,0,0,0|1,0,1]=4 126 B5R0.2 OCCCCBr M10219049P [2,0,0,0,0,0|1,0,1]=4 127 B5R0.2 OCCCCCl M10030203P [2,0,0,0,0,0|1,0,1]=4 128 B7R0.2 O=C(Cl)OC(C)CC M10149751P [1,1,0,0,0,0|2,0,0]=4 129 B7R0.2 O=C(O)CC(O)CN M10190010P [1,1,0,0,0,0|1,0,0]=3 130 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [1,1,0,0,0,0|1,0,0]=3 131 B7R0.2 OCC(O)CN(C)C M10016656P [1,1,0,0,0,0|1,0,1]=4 132 B7R0.3 C=CC(NCCC)=O M10192147P [1,1,0,0,0,0|2,0,0]=4 133 B7R0.3 C=CC(O)CCCC M10067454P [1,1,0,0,0,0|1,0,1]=4 134 B7R0.3 O=C(OC)CCC=O M10126962P [1,1,0,0,0,0|1,0,1]=4 135 B7R0.3 O=C(OC)CCCN M10119950P [1,1,0,0,0,0|1,0,0]=3 136 B7R0.3 O=C(OCCC)CBr M10226573P [1,1,0,0,0,0|2,0,0]=4 137 B7R0.4 CC(CCCCBr)=O M10113189P [1,1,0,0,0,0|1,0,0]=3 138 B7R0.4 CC(OCCOC)=O M10003718P [1,1,0,0,0,0|2,0,0]=4 139 B7R0.4 CCCCCB(O)O M10065828P [1,1,0,0,0,0|1,0,1]=4 140 B7R0.4 CCCCCC(Cl)=O M10005436P [1,1,0,0,0,0|1,0,0]=3 141 B7R0.4 O=C(Cl)OCCCCl M10016962P [1,1,0,0,0,0|2,0,0]=4 142 B7R0.4 O=C(N)COCCCl M10232141P [1,1,0,0,0,0|2,0,0]=4 143 B7R0.4 O=C(N)NCCCC M10195780P [1,1,0,0,0,0|1,0,0]=3 144 B7R0.4 O=C(N)NCCCC M10200467P [1,1,0,0,0,0|1,0,0]=3 145 B7R0.4 O=C(O)CCCC#N M10239045P [1,1,0,0,0,0|0,0,1]=3 146 B7R0.4 O=C(O)CCCCO M10123275P [1,1,0,0,0,0|0,0,0]=2 147 B7R0.4 O=C(O)CCOCC M10062024P [1,1,0,0,0,0|0,0,0]=2 148 B7R0.4 O=C(O)CNCCN M10183221P [1,1,0,0,0,0|1,0,0]=3 149 B7R0.4 O=C(O)COCCC M10276951P [1,1,0,0,0,0|0,0,0]=2 150 B7R0.4 O=C([O-])CCCCO M10233260P [1,1,0,0,0,0|0,0,1]=3 151 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [1,1,0,0,0,0|0,0,2]=4 152 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [1,1,0,0,0,0|0,0,2]=4 153 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [1,1,0,0,0,0|0,0,2]=4 154 B7R0.5 CC(C(CCC)=O)=O M10058081P [1,1,0,0,0,0|1,0,1]=4 155 B7R0.5 CCCC(Br)C(O)=O M10014810P [1,1,0,0,0,0|0,0,0]=2 156 B7R0.5 CCCC(C)C(O)=O M10209692P [1,1,0,0,0,0|0,0,0]=2 157 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [1,1,0,0,0,0|0,0,2]=4 158 B7R0.5 O=C(O)C(Cl)COC M10045189P [1,1,0,0,0,0|1,0,0]=3 159 B7R0.5 O=C(O)C(F)CCN M10193859P [1,1,0,0,0,0|1,0,0]=3 160 B7R0.5 O=C(O)C(N)CCN M10024859P [1,1,0,0,0,0|1,0,0]=3 161 B7R0.5 O=C(O)C(OCC)=O M10016281P [1,1,0,0,0,0|1,0,1]=4 162 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [1,1,0,0,0,0|1,0,0]=3 163 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [1,1,0,0,0,0|1,0,0]=3 164 B7R0.5 O=C(O)[C@H](N)COC M10505436P [1,1,0,0,0,0|1,0,0]=3 165 B7R0.5 O=C(O)[C@H](N)COC M10505437P [1,1,0,0,0,0|1,0,0]=3 166 B7R0.8 O[Sn](Cl)(CCCC)O M10122972P [1,1,0,0,0,0|1,0,1]=4 167 B7R0.9 C=C(C)CC(C)(C)C M10003431P [0,1,0,0,1,0|2,0,0]=4 168 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,1,0,0,1,0|0,0,0]=2 169 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,1,0,0,1,0|0,0,0]=2 170 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,1,0,0,1,0|0,0,0]=2 171 B7R0.9 CC(C)(O)CC([O-])=O M12004457P [0,1,0,0,1,0|0,0,1]=3 172 B7R0.9 CC(CC(C)(S)C)=O M10163133P [0,1,0,0,1,0|1,0,0]=3 173 B7R0.9 O=C([O-])C[N+](C)(C)C M10015014P [0,1,0,0,1,0|1,0,1]=4 174 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,1,0,0,1,0|1,0,1]=4 175 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,1,0,0,1,0|0,0,1]=3 176 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,1,0,0,1,0|0,0,2]=4 177 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,1,0,0,1,0|0,0,2]=4 178 B7R0.16 CC(C)[C@@H](N)C(N)=O M10736332P [0,1,0,0,1,0|1,0,0]=3 179 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,1,0,0,1,0|0,0,0]=2 180 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [0,1,0,0,1,0|1,0,1]=4 181 B9R0.1 C=CC(OCCN(C)C)=O M10043973P [0,1,0,0,0,1|2,0,0]=4 182 B9R0.1 O=C(O)CCCC(OC)=O M10031796P [0,1,0,0,0,1|1,0,1]=4 183 B9R0.7 CC(C)CC[C@@H](N)C(O)=O M10747756P [0,1,0,0,0,1|0,0,0]=2 184 B9R0.7 CC(C)CC[C@H](N)C(O)=O M10215341P [0,1,0,0,0,1|0,0,0]=2 185 B9R0.53 CC(C)CC(N)CC(O)=O M10056453P [0,1,0,0,0,1|0,0,0]=2 186 B9R0.56 C[N+](C)(C)CCCC(O)=O M10085429P [0,1,0,0,0,1|1,0,0]=3 187 B9R0.24 O=C(OC)CCC(CN)=O M10475373P [0,2,0,0,0,0|1,0,1]=4 188 B9R0.48 CC(C)CCC(OCC)=O M10189485P [0,2,0,0,0,0|0,0,0]=2 189 B9R0.48 O=C(OCC(C)C)CC#N M10123002P [0,2,0,0,0,0|2,0,0]=4 190 B9R0.48 O=C(OCC)CCN(C)C M10164358P [0,2,0,0,0,0|1,0,0]=3 191 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(O)=O M10112428P [0,2,0,0,0,0|0,0,0]=2 192 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(O)=O M10512441P [0,2,0,0,0,0|0,0,0]=2 193 B9R0.79 CC(O)[C@H](C)[C@H](N)C(O)=O M10955521P [0,2,0,0,0,0|1,0,0]=3 194 B9R0.79 N[C@@H]([C@@H](C)C(O)C)C(O)=O M10282294P [0,2,0,0,0,0|1,0,0]=3 195 B7R1.2 CC1OS(OC1)=O M10031271P [1,0,0,1,0,0|2,0,0]=4 196 B7R1.2 CN1C[C@H](O)CC1 M10655228P [1,0,0,1,0,0|1,0,1]=4 197 B7R1.2 N[C@H]1COC(C1)=O M10174878P [1,0,0,1,0,0|2,0,0]=4 198 B7R1.2 O=C1CC(CC1)=O M10058164P [1,0,0,1,0,0|1,0,1]=4 199 B7R1.2 O=C1CN(C)CC1 M10472463P [1,0,0,1,0,0|1,0,0]=3 200 B7R1.2 O=C1OC(C)=CC1 M10015036P [1,0,0,1,0,0|0,0,2]=4 201 B7R1.2 O=C1OC(CO1)C M10003516P [1,0,0,1,0,0|1,0,0]=3 202 B7R1.2 O=C1OCC(Cl)O1 M10058922P [1,0,0,1,0,0|2,0,0]=4 203 B7R1.2 O=C1OCC(F)O1 M10694293P [1,0,0,1,0,0|2,0,0]=4 204 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [1,0,0,1,0,0|1,0,0]=3 205 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [1,0,0,1,0,0|2,0,0]=4 206 B7R1.2 OC1CC(N)CC1 M10107887P [1,0,0,1,0,0|1,0,1]=4 207 B7R1.2 OC1CC(N)CC1 M10126049P [1,0,0,1,0,0|1,0,1]=4 208 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [1,0,0,1,0,0|1,0,1]=4 209 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [1,0,0,1,0,0|1,0,1]=4 210 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [1,0,0,1,0,0|1,0,1]=4 211 B7R1.3 C[C@@H]1NCCOC1 M11094562P [1,0,0,1,0,0|1,0,1]=4 212 B7R1.3 C[C@H]1CNCCC1 M10841057P [1,0,0,1,0,0|1,0,1]=4 213 B7R1.3 C[C@H]1NCCOC1 M10088620P [1,0,0,1,0,0|1,0,1]=4 214 B7R1.3 C[C@H]1NCCOC1 M10456366P [1,0,0,1,0,0|1,0,1]=4 215 B7R1.3 ClC1=CCCCC1 M10208207P [1,0,0,1,0,0|2,0,0]=4 216 B7R1.3 ClC1CCCCO1 M10051478P [1,0,0,1,0,0|1,0,1]=4 217 B7R1.3 N[C@@H]1COCCC1 M10121266P [1,0,0,1,0,0|1,0,1]=4 218 B7R1.3 N[C@@H]1COCCC1 M11098623P [1,0,0,1,0,0|1,0,1]=4 219 B7R1.3 N[C@H]1COCCC1 M11098624P [1,0,0,1,0,0|1,0,1]=4 220 B7R1.3 O=C1CCNCC1 M10246538P [1,0,0,1,0,0|2,0,0]=4 221 B7R1.3 O=C1CCNCC1 M10247465P [1,0,0,1,0,0|2,0,0]=4 222 B7R1.3 O=C1CCNCC1 M10857977P [1,0,0,1,0,0|2,0,0]=4 223 B7R1.3 O=C1CCOCC1 M10179636P [1,0,0,1,0,0|2,0,0]=4 224 B7R1.3 O=C1CNCCC1 M10342345P [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 O=C1NCCCN1 M10037131P [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 O=C1OCCOC1 M10050467P [1,0,0,1,0,0|1,0,0]=3 227 B7R1.3 O=S1CCCCC1 M10067807P [1,0,0,1,0,0|2,0,0]=4 228 B7R1.3 ON1CCCCC1 M10066414P [1,0,0,1,0,0|2,0,0]=4 229 B7R1.7 CCCCC1OC1 M10030748P [1,0,0,1,0,0|1,0,1]=4 230 B7R1.10 O=C1CC(CO)C1 M10810765P [1,0,0,1,0,0|2,0,0]=4 231 B7R1.14 CC1(C)NCCC1 M10225767P [1,0,0,1,0,0|1,0,1]=4 232 B7R1.18 N=C(C1CCC1)N M10444128P [1,0,0,1,0,0|2,0,0]=4 233 B7R1.18 O=C(C1NCC1)O M10164146P [1,0,0,1,0,0|1,0,0]=3 234 B7R1.18 O=C(C1OCC1)O M10006194P [1,0,0,1,0,0|1,0,0]=3 235 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [1,0,0,1,0,0|1,0,0]=3 236 B7R1.18 O=C([C@H]1NCC1)O M10875068P [1,0,0,1,0,0|1,0,0]=3 237 B7R1.18 OB(C1CCC1)O M10997879P [1,0,0,1,0,0|1,0,1]=4 238 B7R1.23 N#CC1C(C)(C)C1 M10079621P [1,0,0,1,0,0|1,0,1]=4 239 B9R1.35 N[C@@H]1C=C[C@H](C(O)=O)C1 M10732338P [0,0,0,1,0,1|1,0,1]=4 240 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10732337P [0,0,0,1,0,1|1,0,1]=4 241 B9R1.35 N[C@H]1C=C[C@@H](C(O)=O)C1 M10737963P [0,0,0,1,0,1|1,0,1]=4 242 B9R1.35 O=C(C1CC(CC1)=O)O M10002671P [0,0,0,1,0,1|1,0,1]=4 243 B9R1.35 O=C(C1CN(C)CC1)O M10190927P [0,0,0,1,0,1|1,0,0]=3 244 B9R1.35 O=C(C1CN(C)CC1)O M10254714P [0,0,0,1,0,1|1,0,0]=3 245 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O M10758337P [0,0,0,1,0,1|1,0,0]=3 246 B9R1.35 O=C([C@@H]1NC[C@H](O)C1)O M10467856P [0,0,0,1,0,1|1,0,0]=3 247 B9R1.35 O=C1OC[C@H](C(C)C)N1 M10146629P [0,0,0,1,0,1|1,0,0]=3 248 B9R1.66 O=C1CC(C)(C)OCC1 M10028787P [0,0,0,1,0,1|1,0,0]=3 249 B9R1.66 O=C1CC(C)(O)CCO1 M12271779P [0,0,0,1,0,1|2,0,0]=4 250 B9R1.1 N#CC1CCC(CC1)=O M10225432P [0,1,0,1,0,0|1,0,1]=4 251 B9R1.1 O=C1CCC(OC)CC1 M10124180P [0,1,0,1,0,0|1,0,0]=3 252 B9R1.1 O=C1NCC(CO)CC1 M10769348P [0,1,0,1,0,0|1,0,0]=3 253 B9R1.1 OC1CCC(OC)CC1 M10153152P [0,1,0,1,0,0|1,0,1]=4 254 B9R1.10 O=C1C=CC(C)(C)CC1 M10026199P [0,1,0,1,0,0|1,0,0]=3 255 B9R1.82 O=C(C1CC(C1)=O)OC M10018683P [0,1,0,1,0,0|1,0,1]=4 256 B9R1.82 O=C(C1CC(Cl)C1)OC M10139679P [0,1,0,1,0,0|1,0,0]=3 257 B9R1.82 O=C(C1CC(O)C1)OC M10067430P [0,1,0,1,0,0|1,0,0]=3 258 B9R1.82 O=C([C@H]1C[C@@H](O)C1)OC M10393173P [0,1,0,1,0,0|1,0,0]=3 259 B9R1.82 O=C([C@H]1C[C@H](O)C1)OC M10393174P [0,1,0,1,0,0|1,0,0]=3 260 B9R1.133 O=CC1OC(C)(C)OC1 M10079815P [0,1,0,1,0,0|1,0,1]=4 261 B9R1.138 O=C1OCC(C)(C)[C@@H]1O M10072911P [0,1,0,1,0,0|1,0,0]=3 262 B9R1.38 O=C1NC(C(O1)(C)C)=O M10018657P [0,1,0,1,0,0|1,0,1]=4 263 B9R1.137 CC(CC(C1CC1)=O)=O M10170892P [0,1,0,1,0,0|1,0,1]=4 264 B5R0.5 CC(C)C([O-])=O M10209916P [0,0,0,0,2,0|0,0,1]=3 265 B5R0.5 CC(F)C(O)=O M10083620P [0,0,0,0,2,0|1,0,0]=3 266 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [0,0,0,0,2,0|2,0,0]=4 267 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [0,0,0,0,2,0|1,0,0]=3 268 B5R0.5 C[C@@H](O)C(O)=O M10114112P [0,0,0,0,2,0|1,0,0]=3 269 B5R0.5 C[C@H](Br)C(O)=O M10217830P [0,0,0,0,2,0|1,0,0]=3 270 B5R0.5 O=C(O)C(Br)Cl M10077985P [0,0,0,0,2,0|2,0,0]=4 271 B5R0.5 OC(C)C([O-])=O M10140216P [0,0,0,0,2,0|1,0,1]=4 272 B5R0.5 OC(C)C([O-])=O M10189588P [0,0,0,0,2,0|1,0,1]=4 273 B5R0.5 [O-]C(C)C([O-])=O M10249277P [0,0,0,0,2,0|1,0,1]=4 274 B9R0.55 O=C(N)NCCCN(C)C M10214122P [0,0,0,0,0,2|2,0,0]=4 275 B9R0.55 O=C(O)CCCCC(C)=O M10051384P [0,0,0,0,0,2|1,0,1]=4