0 B6R0.4 C#CCCC(O)=O M10083651P [0,0,0,0,0,0|1,0,1]=2 1 B6R0.4 C=CCCC(Cl)=O M10240332P [0,0,0,0,0,0|2,0,1]=3 2 B6R0.4 C=C\C=C\C(O)=O M10016890P [0,0,0,0,0,0|1,0,3]=4 3 B6R0.4 CC(C)CCCBr M10016880P [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 CC(C)CCCO M10016881P [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 CC(CCC=C)=O M10003621P [0,0,0,0,0,0|2,0,1]=3 6 B6R0.4 CC(CCCBr)=O M10058337P [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(NCCO)=O M10005418P [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CC(O)CCCO M10016886P [0,0,0,0,0,0|2,0,1]=3 9 B6R0.4 CC(OCCO)=O M10013697P [0,0,0,0,0,0|3,0,0]=3 10 B6R0.4 CC\C=C\C(O)=O M10016889P [0,0,0,0,0,0|1,0,2]=3 11 B6R0.4 CC\C=C\C([O-])=O M12008293P [0,0,0,0,0,0|1,0,3]=4 12 B6R0.4 CN(C)CCCBr M10273573P [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 CN(CCCCl)C M10003627P [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 NC(SCCN)=N M10000332P [0,0,0,0,0,0|3,0,0]=3 15 B6R0.4 O=C(Cl)CCCBr M10023246P [0,0,0,0,0,0|2,0,0]=2 16 B6R0.4 O=C(Cl)OCCCl M10016902P [0,0,0,0,0,0|3,0,0]=3 17 B6R0.4 O=C(N)NCCO M10039744P [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 O=C(O)CCC#N M10140304P [0,0,0,0,0,0|0,0,2]=2 19 B6R0.4 O=C(O)CCCCl M10016891P [0,0,0,0,0,0|1,0,0]=1 20 B6R0.4 O=C(O)CCOC M10045190P [0,0,0,0,0,0|2,0,0]=2 21 B6R0.4 O=C(O)CCSC M10017612P [0,0,0,0,0,0|2,0,0]=2 22 B6R0.4 O=C(O)COCC M10016894P [0,0,0,0,0,0|2,0,0]=2 23 B6R0.4 O=C(O)\C=C\CBr M10127900P [0,0,0,0,0,0|1,0,2]=3 24 B6R0.4 O=C([O-])CNCO M10437440P [0,0,0,0,0,0|2,0,1]=3 25 B6R0.4 O=CCC[N+]([O-])=O M10302523P [0,0,0,0,0,0|2,0,2]=4 26 B6R0.4 O=[Sn](CCCC)O M10042008P [0,0,0,0,0,0|2,0,0]=2 27 B6R0.4 S=C(N)NCCC M10023251P [0,0,0,0,0,0|3,1,0]=4 28 B5R0.1 C=C(OCC)C M10023218P [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CC(CC#N)=O M10044340P [1,0,0,0,0,0|1,0,2]=4 30 B5R0.1 CC(CCCl)=O M10089400P [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 CC(COC)=O M10081509P [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 CC(N)CCC M10393249P [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 CC(OCC)=N M10041195P [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CSCS(C)=O M10220911P [1,0,0,0,0,0|3,0,0]=4 35 B5R0.1 C[C@@H](O)COC M10067779P [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 C[C@H](O)COC M10194416P [1,0,0,0,0,0|2,0,1]=4 37 B5R0.1 C\C=C\C(Cl)=O M10016774P [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 C\C=C\C(Cl)=O M10115520P [1,0,0,0,0,0|1,0,2]=4 39 B5R0.1 ClCOC(C)=O M10016791P [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 NC(OCC)=N M10213773P [1,0,0,0,0,0|3,0,0]=4 41 B5R0.1 NCCN(C)C M10003486P [1,0,0,0,0,0|3,0,0]=4 42 B5R0.1 O=C(Cl)OCCl M10173503P [1,0,0,0,0,0|3,0,0]=4 43 B5R0.1 O=C(O)CCF M10011311P [1,0,0,0,0,0|1,0,0]=2 44 B5R0.1 O=C(O)CCO M10012525P [1,0,0,0,0,0|1,0,0]=2 45 B5R0.1 O=C([O-])CNC M10061947P [1,0,0,0,0,0|1,0,1]=3 46 B5R0.1 O=[N+](CCO)[O-] M10016784P [1,0,0,0,0,0|2,0,1]=4 47 B5R0.2 C=CCCCCl M10023281P [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 C=CCC[Mg]Br M10101008P [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 C=CCOCC M10014106P [1,0,0,0,0,0|3,0,0]=4 50 B5R0.2 C=COCCO M10020115P [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 CCCN=C=O M10003745P [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 CCCOC=C M10020114P [1,0,0,0,0,0|3,0,0]=4 53 B5R0.2 CCSCCO M10003744P [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 Cl[Mg]CCCC M10018540P [1,0,0,0,0,0|3,0,0]=4 55 B5R0.2 ICCCCI M10016968P [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 N#CCCNN M10008953P [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 NOC\C=C\Cl M10517974P [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 NOC\C=C\Cl M10631116P [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 OCCCCBr M10196369P [1,0,0,0,0,0|1,0,1]=3 60 B5R0.2 OCCCCBr M10219049P [1,0,0,0,0,0|1,0,1]=3 61 B5R0.2 OCCCCCl M10030203P [1,0,0,0,0,0|1,0,1]=3 62 B7R0.2 O=C(Cl)OC(C)CC M10149751P [0,1,0,0,0,0|3,0,0]=4 63 B7R0.2 O=C(O)CC(O)CN M10190010P [0,1,0,0,0,0|0,0,0]=1 64 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,1,0,0,0,0|0,0,0]=1 65 B7R0.3 C=CC(NCCC)=O M10192147P [0,1,0,0,0,0|3,0,0]=4 66 B7R0.3 C=CC(O)CCCC M10067454P [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 O=C(OC)CCC=O M10126962P [0,1,0,0,0,0|1,0,1]=3 68 B7R0.3 O=C(OC)CCCN M10119950P [0,1,0,0,0,0|0,0,0]=1 69 B7R0.3 O=C(OCCC)CBr M10226573P [0,1,0,0,0,0|3,0,0]=4 70 B7R0.4 CC(CCCCBr)=O M10113189P [0,1,0,0,0,0|2,0,0]=3 71 B7R0.4 CC(O)CNCCN M10004602P [0,1,0,0,0,0|1,0,1]=3 72 B7R0.4 CC(OCCOC)=O M10003718P [0,1,0,0,0,0|3,0,0]=4 73 B7R0.4 CCCCCB(O)O M10065828P [0,1,0,0,0,0|2,0,1]=4 74 B7R0.4 CCCCCC(Cl)=O M10005436P [0,1,0,0,0,0|2,0,0]=3 75 B7R0.4 O=C(Cl)OCCCCl M10016962P [0,1,0,0,0,0|2,0,0]=3 76 B7R0.4 O=C(N)COCCCl M10232141P [0,1,0,0,0,0|2,0,0]=3 77 B7R0.4 O=C(N)NCCCC M10195780P [0,1,0,0,0,0|2,0,0]=3 78 B7R0.4 O=C(N)NCCCC M10200467P [0,1,0,0,0,0|2,0,0]=3 79 B7R0.4 O=C(O)CCCC#N M10239045P [0,1,0,0,0,0|0,0,1]=2 80 B7R0.4 O=C(O)CCCCO M10123275P [0,1,0,0,0,0|1,0,0]=2 81 B7R0.4 O=C(O)CCOCC M10062024P [0,1,0,0,0,0|1,0,0]=2 82 B7R0.4 O=C(O)CNCCN M10183221P [0,1,0,0,0,0|0,0,0]=1 83 B7R0.4 O=C(O)COCCC M10276951P [0,1,0,0,0,0|1,0,0]=2 84 B7R0.4 O=C([O-])CCCCO M10233260P [0,1,0,0,0,0|1,0,1]=3 85 B7R0.5 C#CC[C@H](N)C(O)=O M10179000P [0,1,0,0,0,0|1,0,1]=3 86 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,1,0,0,0,0|1,0,1]=3 87 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,1,0,0,0,0|1,0,1]=3 88 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,1,0,0,0,0|2,0,1]=4 89 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,1,0,0,0,0|1,0,0]=2 90 B7R0.5 CCCC(C)C(O)=O M10209692P [0,1,0,0,0,0|1,0,0]=2 91 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,1,0,0,0,0|1,0,2]=4 92 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 O=C(O)C(F)CCN M10193859P [0,1,0,0,0,0|0,0,0]=1 94 B7R0.5 O=C(O)C(N)CCN M10024859P [0,1,0,0,0,0|0,0,0]=1 95 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,1,0,0,0,0|2,0,1]=4 96 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,1,0,0,0,0|2,0,0]=3 97 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,1,0,0,0,0|2,0,0]=3 98 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,1,0,0,0,0|2,0,0]=3 99 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,1,0,0,0,0|2,0,0]=3 100 B7R0.6 CC(C)CCB(O)O M10634235P [0,1,0,0,0,0|2,0,1]=4 101 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,1,0,0,0,0|1,0,2]=4 102 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,1,0,0,0,0|1,0,2]=4 103 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,1,0,0,0,0|2,0,0]=3 104 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,1,0,0,0,0|1,0,2]=4 105 B7R0.6 O=C(Cl)OCC(C)C M10013714P [0,1,0,0,0,0|3,0,0]=4 106 B7R0.6 O=C(O)CCN(C)C M10133339P [0,1,0,0,0,0|2,0,0]=3 107 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,1,0,0,0,0|0,0,3]=4 108 B7R0.6 O=C([O-])CCC([O-])=O M10041518P [0,1,0,0,0,0|1,0,2]=4 109 B7R0.6 O=C([O-])CCC([O-])=O M10384426P [0,1,0,0,0,0|1,0,2]=4 110 B7R0.8 O=S(CCCN)([O-])=O M10481777P [0,1,0,0,0,0|1,0,1]=3 111 B7R0.8 O=S(CCCS)([O-])=O M10150644P [0,1,0,0,0,0|2,0,1]=4 112 B7R0.8 O=S(O)(OCCN)=O M10023202P [0,1,0,0,0,0|2,0,0]=3 113 B7R0.8 O[Sn](Cl)(CCCC)O M10122972P [0,1,0,0,0,0|2,0,1]=4 114 B7R1.2 CC1OS(OC1)=O M10031271P [0,0,0,1,0,0|3,0,0]=4 115 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,0,0,1,0,0|2,0,0]=3 116 B7R1.2 O=C1CC(CC1)=O M10058164P [0,0,0,1,0,0|2,0,1]=4 117 B7R1.2 O=C1CN(C)CC1 M10472463P [0,0,0,1,0,0|3,0,0]=4 118 B7R1.2 O=C1N=C(N)SC1 M10014084P [0,0,0,1,0,0|2,0,1]=4 119 B7R1.2 O=C1N=C(N)SC1 M10040985P [0,0,0,1,0,0|2,0,1]=4 120 B7R1.2 O=C1NC(CC1)=O M10004579P [0,0,0,1,0,0|2,0,1]=4 121 B7R1.2 O=C1NCC(O1)=O M10040935P [0,0,0,1,0,0|2,0,1]=4 122 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,0,0,1,0,0|1,0,2]=4 123 B7R1.2 O=C1OC(CO1)C M10003516P [0,0,0,1,0,0|2,0,0]=3 124 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,0,0,1,0,0|2,0,0]=3 125 B7R1.2 O=C1OCC(F)O1 M10694293P [0,0,0,1,0,0|2,0,0]=3 126 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,0,0,1,0,0|2,0,0]=3 127 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,0,0,1,0,0|3,0,0]=4 128 B7R1.2 OC1CC(N)CC1 M10107887P [0,0,0,1,0,0|1,0,1]=3 129 B7R1.2 OC1CC(N)CC1 M10126049P [0,0,0,1,0,0|1,0,1]=3 130 B7R1.2 O[C@@H]1C[C@H](N)CC1 M10095935P [0,0,0,1,0,0|1,0,1]=3 131 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127739P [0,0,0,1,0,0|1,0,1]=3 132 B7R1.2 O[C@H]1C[C@@H](N)CC1 M10127951P [0,0,0,1,0,0|1,0,1]=3 133 B7R1.3 C[C@H]1CNCCC1 M10841057P [0,0,0,1,0,0|2,0,1]=4 134 B7R1.3 ClC1=CCCCC1 M10208207P [0,0,0,1,0,0|3,0,0]=4 135 B7R1.3 ClC1CCCCO1 M10051478P [0,0,0,1,0,0|2,0,1]=4 136 B7R1.3 NC1CNCCC1 M10274112P [0,0,0,1,0,0|2,0,1]=4 137 B7R1.3 N[C@@H]1CNCCC1 M10481372P [0,0,0,1,0,0|2,0,1]=4 138 B7R1.3 N[C@H]1CNCCC1 M10725270P [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 O=C1CCNCC1 M10246538P [0,0,0,1,0,0|3,0,0]=4 140 B7R1.3 O=C1CCNCC1 M10247465P [0,0,0,1,0,0|3,0,0]=4 141 B7R1.3 O=C1CCNCC1 M10857977P [0,0,0,1,0,0|3,0,0]=4 142 B7R1.3 O=C1CCOCC1 M10179636P [0,0,0,1,0,0|3,0,0]=4 143 B7R1.3 O=C1CNCCC1 M10342345P [0,0,0,1,0,0|1,0,0]=2 144 B7R1.3 O=C1NCCCN1 M10037131P [0,0,0,1,0,0|3,0,0]=4 145 B7R1.3 O=C1OCCOC1 M10050467P [0,0,0,1,0,0|2,0,0]=3 146 B7R1.3 O=S1CCCCC1 M10067807P [0,0,0,1,0,0|3,0,0]=4 147 B7R1.3 OC1CNCCO1 M10475029P [0,0,0,1,0,0|2,0,1]=4 148 B7R1.3 ON1CCCCC1 M10066414P [0,0,0,1,0,0|3,0,0]=4 149 B7R1.7 CCCCC1OC1 M10030748P [0,0,0,1,0,0|2,0,1]=4 150 B7R1.10 N#CC1CC(C1)=O M10164982P [0,0,0,1,0,0|1,0,2]=4 151 B7R1.10 O=C1CC(CO)C1 M10810765P [0,0,0,1,0,0|2,0,0]=3 152 B7R1.14 CC1(C)NCCC1 M10225767P [0,0,0,1,0,0|2,0,1]=4 153 B7R1.14 O=S1(NCCN1)=O M10080815P [0,0,0,1,0,0|2,0,1]=4 154 B7R1.18 N=C(C1CCC1)N M10444128P [0,0,0,1,0,0|3,0,0]=4 155 B7R1.18 O=C(C1NCC1)O M10164146P [0,0,0,1,0,0|0,0,0]=1 156 B7R1.18 O=C(C1OCC1)O M10006194P [0,0,0,1,0,0|1,0,0]=2 157 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,0,0,1,0,0|0,0,0]=1 158 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,0,0,1,0,0|0,0,0]=1 159 B7R1.18 OB(C1CCC1)O M10997879P [0,0,0,1,0,0|2,0,1]=4 160 B4R0.1 CC(CCl)=O M10001162P [2,0,0,0,0,0|2,0,0]=4 161 B4R0.1 CC(CN)=O M10110205P [2,0,0,0,0,0|1,0,0]=3 162 B4R0.1 CC(SC)=O M10032388P [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 CCC(N)=S M10017126P [2,0,0,0,0,0|1,1,0]=4 164 B4R0.1 CCC([O-])=O M10205103P [2,0,0,0,0,0|0,0,1]=3 165 B4R0.1 C[C@@H](O)CC M10133832P [2,0,0,0,0,0|1,0,1]=4 166 B4R0.1 N=C(N)CN M10436074P [2,0,0,0,0,0|2,0,0]=4 167 B4R0.1 NCC([O-])=O M10102492P [2,0,0,0,0,0|0,0,1]=3 168 B4R0.1 NCC([O-])=O M10164487P [2,0,0,0,0,0|0,0,1]=3 169 B4R0.1 NCC([O-])=O M10229094P [2,0,0,0,0,0|0,0,1]=3 170 B4R0.1 NNC(N)=O M10000401P [2,0,0,0,0,0|2,0,0]=4 171 B4R0.1 O=C(Cl)CBr M10173456P [2,0,0,0,0,0|2,0,0]=4 172 B4R0.1 O=C(Cl)CF M10009145P [2,0,0,0,0,0|2,0,0]=4 173 B4R0.1 O=C(N)CF M10017415P [2,0,0,0,0,0|2,0,0]=4 174 B4R0.1 O=C(N)CN M10015343P [2,0,0,0,0,0|1,0,0]=3 175 B4R0.1 O=C([O-])CN M10133319P [2,0,0,0,0,0|0,0,1]=3 176 B4R0.1 O=C([O-])CO M10048155P [2,0,0,0,0,0|1,0,1]=4 177 B4R0.1 SCC([O-])=O M10194150P [2,0,0,0,0,0|1,0,1]=4 178 B4R0.1 SCC([O-])=O M12278138P [2,0,0,0,0,0|1,0,1]=4 179 B4R0.1 [NH-]CC(O)=O M12278746P [2,0,0,0,0,0|0,0,1]=3 180 B4R0.2 C#CCCN M10128309P [2,0,0,0,0,0|0,0,2]=4 181 B4R0.2 C#CCCN M10528466P [2,0,0,0,0,0|0,0,2]=4 182 B4R0.2 C#CCCO M10023257P [2,0,0,0,0,0|1,0,1]=4 183 B4R0.2 C(NCC)=O M10016925P [2,0,0,0,0,0|1,0,0]=3 184 B4R0.2 C=CCCCl M10023256P [2,0,0,0,0,0|1,0,1]=4 185 B4R0.2 C=CCCN M10044983P [2,0,0,0,0,0|0,0,1]=3 186 B4R0.2 C=CCOC M10016921P [2,0,0,0,0,0|2,0,0]=4 187 B4R0.2 CCCCN M10058158P [2,0,0,0,0,0|0,0,1]=3 188 B4R0.2 CCCC[O-] M10026120P [2,0,0,0,0,0|0,0,2]=4 189 B4R0.2 CCC[Mg]Cl M10041602P [2,0,0,0,0,0|2,0,0]=4 190 B4R0.2 CSCCO M10070197P [2,0,0,0,0,0|1,0,1]=4 191 B4R0.2 C\C=C\C=O M10004592P [2,0,0,0,0,0|0,0,2]=4 192 B4R0.2 FCCCBr M10008947P [2,0,0,0,0,0|2,0,0]=4 193 B4R0.2 NCCOC M10003657P [2,0,0,0,0,0|1,0,1]=4 194 B4R0.2 NOCC=C M10238130P [2,0,0,0,0,0|1,0,1]=4 195 B4R0.2 NOCCN M10234700P [2,0,0,0,0,0|2,0,0]=4 196 B4R0.2 NOCCO M10052943P [2,0,0,0,0,0|1,0,0]=3 197 B4R0.2 OCCCF M10011351P [2,0,0,0,0,0|1,0,0]=3 198 B6R0.1 C=CC(NCC)=O M10081542P [1,1,0,0,0,0|2,0,0]=4 199 B6R0.1 C=CC(O)CCC M10066392P [1,1,0,0,0,0|1,0,1]=4 200 B6R0.1 C=CC(OCC)=O M10186126P [1,1,0,0,0,0|2,0,0]=4 201 B6R0.1 CC#CC(OC)=O M10179372P [1,1,0,0,0,0|0,0,2]=4 202 B6R0.1 CCCC(C)C=O M10004549P [1,1,0,0,0,0|1,0,1]=4 203 B6R0.1 CCCC(NN)=O M10055378P [1,1,0,0,0,0|1,0,0]=3 204 B6R0.1 CCC[C@H](N)CO M10176483P [1,1,0,0,0,0|1,0,1]=4 205 B6R0.1 C\C=C\C(OC)=O M10156893P [1,1,0,0,0,0|0,0,2]=4 206 B6R0.1 O=C(C#N)OCC M10016649P [1,1,0,0,0,0|2,0,0]=4 207 B6R0.1 O=C(OC)CCN M10060379P [1,1,0,0,0,0|0,0,0]=2 208 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [1,1,0,0,0,0|1,0,1]=4 209 B6R0.1 O=C(OCC)CBr M10003242P [1,1,0,0,0,0|2,0,0]=4 210 B6R0.1 O=C(OCC)CN M10011247P [1,1,0,0,0,0|2,0,0]=4 211 B6R0.2 CC(CC(C)=O)=O M10123299P [1,1,0,0,0,0|1,0,1]=4 212 B6R0.2 CC(N)CC(O)=O M10187780P [1,1,0,0,0,0|0,0,0]=2 213 B6R0.2 CC(O)CC([O-])=O M10005658P [1,1,0,0,0,0|0,0,1]=3 214 B6R0.2 CC(OC(Br)C)=O M10242154P [1,1,0,0,0,0|2,0,0]=4 215 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [1,1,0,0,0,0|0,0,0]=2 216 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [1,1,0,0,0,0|0,0,1]=3 217 B6R0.2 C[C@H](N)CC(O)=O M10057573P [1,1,0,0,0,0|0,0,0]=2 218 B6R0.2 C[C@H](N)CC(O)=O M10302309P [1,1,0,0,0,0|0,0,0]=2 219 B6R0.2 C[C@H](O)CC(O)=O M10084600P [1,1,0,0,0,0|0,0,0]=2 220 B6R0.2 C[S+](CC([O-])=O)C M10065707P [1,1,0,0,0,0|1,0,1]=4 221 B6R0.2 O=C(N)CC(N)=N M10224228P [1,1,0,0,0,0|1,0,1]=4 222 B6R0.2 O=C([O-])CN(C)C M10154757P [1,1,0,0,0,0|1,0,1]=4 223 B6R0.3 C=C(CBr)C(O)=O M10448395P [1,1,0,0,0,0|1,0,1]=4 224 B6R0.3 CC(C(S)CC)=O M10426560P [1,1,0,0,0,0|1,0,0]=3 225 B6R0.3 CC(NC)C(O)=O M10015418P [1,1,0,0,0,0|1,0,0]=3 226 B6R0.3 CC(OC)C(O)=O M10062023P [1,1,0,0,0,0|1,0,0]=3 227 B6R0.3 CCC(B(O)O)C M10538835P [1,1,0,0,0,0|1,0,1]=4 228 B6R0.3 CCC(Br)C(Br)=O M10192304P [1,1,0,0,0,0|1,0,0]=3 229 B6R0.3 CCC(C(O)=O)=C M10055842P [1,1,0,0,0,0|0,0,1]=3 230 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [1,1,0,0,0,0|1,0,0]=3 231 B6R0.3 C\C(C(O)=O)=C\C M10014266P [1,1,0,0,0,0|0,0,2]=4 232 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [1,1,0,0,0,0|1,0,0]=3 233 B6R0.3 N[C@H](CS)C(O)=O M10832565P [1,1,0,0,0,0|1,0,0]=3 234 B6R0.3 O=C(Cl)C(Br)CBr M10157298P [1,1,0,0,0,0|2,0,0]=4 235 B6R0.3 O=C(O)C(N)CS M10631134P [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 O=C(O)C(O)CCl M10035208P [1,1,0,0,0,0|1,0,0]=3 237 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [1,1,0,0,0,0|1,0,0]=3 238 B6R0.5 CCCP(Cl)(Cl)=O M10065545P [1,1,0,0,0,0|2,0,0]=4 239 B6R0.5 NCCP(O)(O)=O M10039321P [1,1,0,0,0,0|1,0,0]=3 240 B6R0.5 NCCS(=O)(N)=O M10581088P [1,1,0,0,0,0|1,0,1]=4 241 B6R0.5 OCCS(=O)(O)=O M10003429P [1,1,0,0,0,0|2,0,0]=4 242 B6R0.6 C=CCCCCCl M10208182P [1,1,0,0,0,0|2,0,0]=4 243 B6R0.6 C=CCOCCO M10003808P [1,1,0,0,0,0|2,0,0]=4 244 B6R0.6 COBCCCC M10104694P [1,1,0,0,0,0|2,0,0]=4 245 B6R0.6 COCCCCCl M10152312P [1,1,0,0,0,0|1,0,1]=4 246 B6R0.6 ClCCCN=C=O M10119739P [1,1,0,0,0,0|1,0,1]=4 247 B6R0.6 NCCCCCN M10031362P [1,1,0,0,0,0|1,0,1]=4 248 B6R0.6 NCCSCCN M10022220P [1,1,0,0,0,0|1,0,1]=4 249 B6R0.6 OCCCCNC M10247660P [1,1,0,0,0,0|0,0,1]=3 250 B6R0.6 OCCSCCO M10003812P [1,1,0,0,0,0|1,0,1]=4 251 B8R0.2 CC[C@@H](C)[C@H](N)C(O)=O M10031965P [0,2,0,0,0,0|1,0,0]=3 252 B8R0.2 CC[C@H](C)[C@H](N)C(N)=O M10115315P [0,2,0,0,0,0|2,0,0]=4 253 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO M10954945P [0,2,0,0,0,0|1,0,1]=4 254 B8R0.19 O=C(OC)CC(O)CCl M10115529P [0,2,0,0,0,0|1,0,0]=3 255 B8R0.19 O=C(OC)C[C@@H](O)CCl M10538831P [0,2,0,0,0,0|1,0,0]=3 256 B8R0.19 O=C(OC)C[C@H](O)CCl M10508237P [0,2,0,0,0,0|1,0,0]=3 257 B8R0.23 CC(C)CC(O)C(O)=O M10012348P [0,2,0,0,0,0|1,0,0]=3 258 B8R0.23 CC(C)C[C@H](O)C(O)=O M10126214P [0,2,0,0,0,0|1,0,0]=3 259 B8R0.23 CN(CC(O)=O)C(N)=N M10285799P [0,2,0,0,0,0|1,0,1]=4 260 B8R0.23 N[C@@H](CC(O)=O)C([O-])=O M12276677P [0,2,0,0,0,0|1,0,1]=4 261 B8R0.23 O=C(O)C(S)CC(O)=O M10000758P [0,2,0,0,0,0|1,0,1]=4 262 B8R0.23 O=C(O)CN(C)C(N)=N M10146842P [0,2,0,0,0,0|1,0,1]=4 263 B8R0.23 O=C(O)[C@@H](N)CS(C)=O M10096739P [0,2,0,0,0,0|2,0,0]=4 264 B8R0.23 O=C([O-])CC(N)C(O)=O M10023113P [0,2,0,0,0,0|1,0,1]=4 265 B8R0.23 O=C([O-])[C@@H](N)CC(O)=O M10238865P [0,2,0,0,0,0|1,0,1]=4 266 B8R0.1 O=C(OCC)CCCBr M10049666P [0,2,0,0,0,0|1,0,0]=3 267 B8R0.1 O=C(OCC)CCCCl M10051695P [0,2,0,0,0,0|1,0,0]=3 268 B8R0.1 O=C(OCC)CCCN M10097497P [0,2,0,0,0,0|0,0,0]=2 269 B8R0.1 O=C(OCC)COCC M10021200P [0,2,0,0,0,0|2,0,0]=4 270 B8R0.1 O=C(OCC)NCCCl M10089881P [0,2,0,0,0,0|2,0,0]=4 271 B8R0.3 CCCC(Br)C(OC)=O M10159141P [0,2,0,0,0,0|1,0,0]=3 272 B8R0.3 CCC[C@H](N)C(OC)=O M10289219P [0,2,0,0,0,0|1,0,0]=3 273 B8R0.3 O=C(OC)C(Br)CCBr M10437848P [0,2,0,0,0,0|1,0,0]=3 274 B8R0.6 O=C(OC)CCCCCl M10129961P [0,2,0,0,0,0|1,0,0]=3 275 B8R0.6 O=C(OCCCC)CCl M10014991P [0,2,0,0,0,0|2,0,0]=4 276 B8R0.6 O=C(OCCCC)CO M10104696P [0,2,0,0,0,0|1,0,0]=3 277 B8R0.8 CC(O)C(OCCC)=O M10016208P [0,2,0,0,0,0|2,0,0]=4 278 B8R0.8 C[C@H](N)C(CCCC)=O M10784855P [0,2,0,0,0,0|2,0,0]=4 279 B8R0.8 C[C@H](O)C(OCCC)=O M10271936P [0,2,0,0,0,0|2,0,0]=4 280 B8R0.8 O=C(O)C(Br)CCCBr M10030963P [0,2,0,0,0,0|1,0,0]=3 281 B8R0.8 O=C(O)C(O)CCSC M10014771P [0,2,0,0,0,0|1,0,0]=3 282 B8R0.8 O=C(O)[C@@H](N)CCCN M10000749P [0,2,0,0,0,0|0,0,0]=2 283 B8R0.8 O=C(O)[C@@H](N)CCCN M10312953P [0,2,0,0,0,0|0,0,0]=2 284 B8R0.8 O=C([O-])C(O)CCSC M10066845P [0,2,0,0,0,0|1,0,1]=4 285 B8R0.9 CC(CCC(OC)=O)=O M10016714P [0,2,0,0,0,0|1,0,1]=4 286 B8R0.9 O=C(O)CCC(CN)=O M10003359P [0,2,0,0,0,0|0,0,0]=2 287 B8R0.9 O=C(OC)CCC(Cl)=O M10031630P [0,2,0,0,0,0|1,0,1]=4 288 B8R0.7 BrCCCCOC(C)=O M10065998P [0,2,0,0,0,0|2,0,0]=4 289 B8R0.7 C#CCCCCC(O)=O M10212111P [0,2,0,0,0,0|1,0,0]=3 290 B8R0.7 C=CCCCCC(O)=O M10027121P [0,2,0,0,0,0|1,0,0]=3 291 B8R0.7 CCCC\C=C\C(O)=O M10158440P [0,2,0,0,0,0|1,0,0]=3 292 B8R0.7 CSCCCOC(C)=O M10144018P [0,2,0,0,0,0|2,0,0]=4 293 B8R0.7 O=C(Cl)CCCCCBr M10176911P [0,2,0,0,0,0|2,0,0]=4 294 B8R0.7 O=C(Cl)OCCCCC M10017366P [0,2,0,0,0,0|2,0,0]=4 295 B8R0.7 O=C(Cl)OCCOCC M10016994P [0,2,0,0,0,0|2,0,0]=4 296 B8R0.7 O=C(O)CCCCCN M10196151P [0,2,0,0,0,0|0,0,0]=2 297 B8R0.7 O=C(O)COCCCC M10044886P [0,2,0,0,0,0|1,0,0]=3 298 B8R0.7 O=C(O)COCCOC M10140131P [0,2,0,0,0,0|1,0,0]=3 299 B8R0.28 O=C(N)CCCC(N)=O M10036487P [0,2,0,0,0,0|1,0,0]=3 300 B8R0.28 O=C(O)CCCN(C)C M10436635P [0,2,0,0,0,0|0,0,0]=2 301 B8R0.28 O=C(O)COCC(O)=O M10003764P [0,2,0,0,0,0|1,0,1]=4 302 B8R0.28 O=C(O)\C=C\CN(C)C M10996972P [0,2,0,0,0,0|0,0,2]=4 303 B8R0.28 [NH2+]=C(N)SCCC(O)=O M10073898P [0,2,0,0,0,0|0,0,1]=3 304 B8R0.12 C=CC[C@@](C)(N)C(O)=O M10630880P [0,2,0,0,0,0|1,0,1]=4 305 B8R0.29 O=C(O)CCC(F)(F)F M10010362P [0,2,0,0,0,0|1,0,0]=3 306 B8R0.29 O=C(O)CCS(=O)(C)=O M10017606P [0,2,0,0,0,0|2,0,0]=4 307 B8R0.29 O=C(O)CCS(=O)(N)=O M10136857P [0,2,0,0,0,0|1,0,0]=3 308 B8R0.29 O=C(O)CNC(C)(C)C M10097629P [0,2,0,0,0,0|2,0,0]=4 309 B8R0.29 O=C(O)CNC(C)(C)C M10301470P [0,2,0,0,0,0|2,0,0]=4 310 B6R1.2 CC1=NCCO1 M10027175P [1,0,0,1,0,0|2,0,0]=4 311 B6R1.2 NC1=NCCC1 M10108538P [1,0,0,1,0,0|2,0,0]=4 312 B6R1.2 O=C1CNCC1 M10002481P [1,0,0,1,0,0|1,0,0]=3 313 B6R1.2 O=C1CNCC1 M10057424P [1,0,0,1,0,0|1,0,0]=3 314 B6R1.2 O=C1NCNC1 M10035055P [1,0,0,1,0,0|2,0,0]=4 315 B6R1.2 O=C1NCNC1 M10140916P [1,0,0,1,0,0|2,0,0]=4 316 B6R1.2 O=C1OCCO1 M10002484P [1,0,0,1,0,0|1,0,0]=3 317 B6R1.2 O=C1SCCN1 M10046694P [1,0,0,1,0,0|1,1,0]=4 318 B6R1.2 O=S1OCCO1 M10057276P [1,0,0,1,0,0|2,0,0]=4 319 B6R1.5 OC1CC(N)C1 M10095936P [1,0,0,1,0,0|1,0,1]=4 320 B6R1.5 O[C@H]1C[C@H](N)C1 M11112696P [1,0,0,1,0,0|1,0,1]=4 321 B6R1.1 C1CCCNN1 M10012589P [1,0,0,1,0,0|1,0,1]=4 322 B6R1.1 N1CCCCC1 M10083674P [1,0,0,1,0,0|1,0,1]=4 323 B6R1.6 NCC1COC1 M10085393P [1,0,0,1,0,0|2,0,0]=4 324 B6R1.6 NCC1OCC1 M11018010P [1,0,0,1,0,0|0,0,1]=3 325 B6R1.6 O=CC1CCC1 M10049905P [1,0,0,1,0,0|1,0,0]=3 326 B6R1.6 O=CC1COC1 M10128905P [1,0,0,1,0,0|2,0,0]=4 327 B6R1.6 OC[C@H]1NCC1 M10655012P [1,0,0,1,0,0|0,0,1]=3 328 B8R1.1 O=C1NCC(CN)C1 M10938946P [0,1,0,1,0,0|1,0,0]=3 329 B8R1.1 O=C1N[C@@H](CO)CC1 M10421051P [0,1,0,1,0,0|2,0,0]=4 330 B8R1.1 O=C1N[C@H](CBr)CC1 M10447477P [0,1,0,1,0,0|2,0,0]=4 331 B8R1.1 O=C1N[C@H](CN)CC1 M10768385P [0,1,0,1,0,0|1,0,0]=3 332 B8R1.1 O=C1N[C@H](CO)CC1 M10148902P [0,1,0,1,0,0|2,0,0]=4 333 B8R1.1 O=C1OCC(CO)O1 M10023416P [0,1,0,1,0,0|1,0,0]=3 334 B8R1.1 O=C1O[C@H](CO)C=C1 M10471936P [0,1,0,1,0,0|1,0,1]=4 335 B8R1.1 O=C1O[C@H](CO)CC1 M10218224P [0,1,0,1,0,0|1,0,0]=3 336 B8R1.4 O=C1CN(C)CCC1 M10077248P [0,1,0,1,0,0|1,0,0]=3 337 B8R1.4 O=C1NCCC(O)C1 M10882636P [0,1,0,1,0,0|2,0,0]=4 338 B8R1.4 O=C1NCCN(C)C1 M10224934P [0,1,0,1,0,0|2,0,0]=4 339 B8R1.4 O=C1NCC[C@H](O)C1 M10882637P [0,1,0,1,0,0|2,0,0]=4 340 B8R1.4 OC1CC(N)CCC1 M10096701P [0,1,0,1,0,0|1,0,1]=4 341 B8R1.4 O[C@H]1C[C@@H](N)CCC1 M10099944P [0,1,0,1,0,0|1,0,1]=4 342 B8R1.18 O=C1CC(C)C(C)C1 M10207594P [0,1,0,1,0,0|2,0,0]=4 343 B8R1.51 NC1CCS(C1)(=O)=O M10260914P [0,1,0,1,0,0|1,0,1]=4 344 B8R1.3 OC1CCC(N)CC1 M10096706P [0,1,0,1,0,0|1,0,1]=4 345 B8R1.5 O=C1C(C)CCCC1 M10014758P [0,1,0,1,0,0|2,0,0]=4 346 B8R1.5 O=C1C(Cl)CCCC1 M10021353P [0,1,0,1,0,0|2,0,0]=4 347 B8R1.5 O=C1C(N)CCCC1 M10098058P [0,1,0,1,0,0|2,0,0]=4 348 B8R1.22 O=C1CCNCCC1 M10254302P [0,1,0,1,0,0|1,0,0]=3 349 B8R1.38 O=C(C1CCC1)NC M10122966P [0,1,0,1,0,0|2,0,0]=4 350 B8R1.38 O=C(C1CCC1)OC M10020178P [0,1,0,1,0,0|1,0,0]=3 351 B8R1.38 O=C(C1NCC1)OC M10199118P [0,1,0,1,0,0|0,0,0]=2 352 B8R1.38 O=C([C@H]1NCC1)OC M10435419P [0,1,0,1,0,0|0,0,0]=2 353 B8R1.50 O=C1C(C(C)CC1)=O M10020173P [0,1,0,1,0,0|1,0,1]=4 354 B8R1.7 CC(C1SCCN1)=O M10425066P [0,1,0,1,0,0|1,0,0]=3 355 B8R1.7 CC([C@@H]1OCCC1)=O M10934991P [0,1,0,1,0,0|2,0,0]=4 356 B8R1.7 CC([C@H]1OCCC1)=O M10733047P [0,1,0,1,0,0|2,0,0]=4 357 B8R1.7 O=C(C1=COCC1)O M10633740P [0,1,0,1,0,0|1,0,1]=4 358 B8R1.7 O=C(C1CNCC1)O M10088532P [0,1,0,1,0,0|0,0,0]=2 359 B8R1.7 O=C(C1CNCC1)O M10307067P [0,1,0,1,0,0|0,0,0]=2 360 B8R1.7 O=C([C@@H]1COCC1)O M10797101P [0,1,0,1,0,0|1,0,0]=3 361 B8R1.7 O=C([C@@H]1NCC=C1)O M10302447P [0,1,0,1,0,0|0,0,1]=3 362 B8R1.7 O=C([C@@H]1NCCC1)N M10256539P [0,1,0,1,0,0|1,0,0]=3 363 B8R1.7 O=C([C@H]1COCC1)O M10421829P [0,1,0,1,0,0|1,0,0]=3 364 B8R1.72 O=S1(NCNCC1)=O M10237331P [0,1,0,1,0,0|1,0,1]=4 365 B8R1.23 CC(N1CC(N)C1)=O M10103229P [0,1,0,1,0,0|2,0,0]=4 366 B8R1.23 O=C(C1CC(C)C1)O M10293834P [0,1,0,1,0,0|1,0,0]=3 367 B8R1.23 O=C(C1CC(Cl)C1)O M10226501P [0,1,0,1,0,0|1,0,0]=3 368 B8R1.23 O=C(C1CC(N1)=O)O M10633721P [0,1,0,1,0,0|0,0,1]=3 369 B8R1.23 O=C(C1CC(O)C1)O M10825846P [0,1,0,1,0,0|1,0,0]=3 370 B8R1.23 O=C(C1CN(C)C1)O M11014439P [0,1,0,1,0,0|2,0,0]=4 371 B8R1.23 O=C([C@H]1C[C@@H](O)C1)O M10893713P [0,1,0,1,0,0|1,0,0]=3 372 B8R1.23 O=C([C@H]1C[C@H](O)C1)O M11127122P [0,1,0,1,0,0|1,0,0]=3 373 B8R1.54 O=C(O)C(C1CC1)=O M10127074P [0,1,0,1,0,0|1,0,1]=4 374 B8R1.78 O=C(C1(N)CCC1)O M10174204P [0,1,0,1,0,0|1,0,0]=3 375 B8R1.78 O=C(C1(N)CCC1)O M10633940P [0,1,0,1,0,0|1,0,0]=3 376 B8R1.77 O=C(C1C(C)(C)C1)O M10461324P [0,1,0,1,0,0|1,0,0]=3 377 B8R1.77 O=C(C1C(F)(F)C1)O M10667522P [0,1,0,1,0,0|1,0,0]=3 378 B8R1.77 O=C([C@@H]1C(C)(C)C1)O M10132109P [0,1,0,1,0,0|1,0,0]=3