0 B5R0.1 C=C(OCC)C M10023218P [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 CC(C)=CCCl M10012522P [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(CC#N)=O M10044340P [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC(CCCl)=O M10089400P [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC(COC)=O M10081509P [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(OC=O)=O M10041862P [0,0,0,0,0,0|3,0,0]=3 6 B5R0.1 CC(OCC)=N M10041195P [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CSCS(C)=O M10220911P [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C[C@@H](O)COC M10067779P [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 C[C@H](O)COC M10194416P [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 C\C=C\C(Cl)=O M10016774P [0,0,0,0,0,0|1,0,0]=1 11 B5R0.1 C\C=C\C(Cl)=O M10115520P [0,0,0,0,0,0|1,0,0]=1 12 B5R0.1 ClCOC(C)=O M10016791P [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 NC(OCC)=N M10213773P [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 O=C(Cl)OCCl M10173503P [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 O=C(O)CCF M10011311P [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 O=C(O)CCO M10012525P [0,0,0,0,0,0|1,0,2]=3 17 B5R0.1 O=C([O-])CNC M10061947P [0,0,0,0,0,0|1,0,2]=3 18 B4R0.1 C#CC(N)=O M10104034P [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=C(C)C=O M10001153P [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 C=CC(Cl)C M10014214P [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C=CC([O-])=O M10105582P [1,0,0,0,0,0|0,0,1]=2 22 B4R0.1 C=CC([O-])=O M10132485P [1,0,0,0,0,0|0,0,1]=2 23 B4R0.1 C=C[N+]([O-])=O M10056294P [1,0,0,0,0,0|1,0,1]=3 24 B4R0.1 CC(C)=CBr M10050220P [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 CC(CCl)=O M10001162P [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 CC(CN)=O M10110205P [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 CC(O)C=C M10195978P [1,0,0,0,0,0|1,0,1]=3 28 B4R0.1 CC(SC)=O M10032388P [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 CCC(N)=S M10017126P [1,0,0,0,0,0|1,1,1]=4 30 B4R0.1 CCC([O-])=O M10205103P [1,0,0,0,0,0|0,0,2]=3 31 B4R0.1 C[C@@H](O)CC M10133832P [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C\C(Br)=C\C M12004205P [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 NC(NC)=N M10171679P [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 NC(NC)=N M10176185P [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 NC(SC)=N M10131709P [1,0,0,0,0,0|3,0,0]=4 36 B4R0.1 NCC([O-])=O M10102492P [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 NCC([O-])=O M10164487P [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 NCC([O-])=O M10229094P [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 NNC(N)=O M10000401P [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 O=C(C)C=C M10001161P [1,0,0,0,0,0|1,0,0]=2 41 B4R0.1 O=C(Cl)CBr M10173456P [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 O=C(Cl)CF M10009145P [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 O=C(N)CF M10017415P [1,0,0,0,0,0|2,0,1]=4 44 B4R0.1 O=C(N)CN M10015343P [1,0,0,0,0,0|2,0,1]=4 45 B4R0.1 O=C([O-])CN M10133319P [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 O=C([O-])CO M10048155P [1,0,0,0,0,0|1,0,2]=4 47 B4R0.1 S=C(N)NC M10015347P [1,0,0,0,0,0|2,1,0]=4 48 B4R0.1 SCC([O-])=O M10194150P [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 SCC([O-])=O M12278138P [1,0,0,0,0,0|1,0,2]=4 50 B4R0.1 [NH-]CC(O)=O M12278746P [1,0,0,0,0,0|1,0,1]=3 51 B4R0.2 C(NCC)=O M10016925P [1,0,0,0,0,0|1,0,1]=3 52 B4R0.2 C=CCOC M10016921P [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 CSCCO M10070197P [1,0,0,0,0,0|1,0,2]=4 54 B4R0.2 C\C=C\C=O M10004592P [1,0,0,0,0,0|0,0,0]=1 55 B4R0.2 C\C=C\CCl M10015079P [1,0,0,0,0,0|1,0,1]=3 56 B4R0.2 C\C=C\OC M10103777P [1,0,0,0,0,0|2,0,0]=3 57 B6R0.1 C=CC(NCC)=O M10081542P [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 C=CC(OCC)=O M10186126P [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CC#CC(OC)=O M10179372P [0,1,0,0,0,0|0,0,2]=3 60 B6R0.1 CCCC(NN)=O M10055378P [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 C\C=C\C(OC)=O M10156893P [0,1,0,0,0,0|0,0,0]=1 62 B6R0.1 O=C(C#N)OCC M10016649P [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 O=C(OC)CCN M10060379P [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 O=C(OC)C[N+]#[C-] M10240268P [0,1,0,0,0,0|1,0,2]=4 65 B6R0.1 O=C(OC=C)CCl M10186320P [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 O=C(OCC)CBr M10003242P [0,1,0,0,0,0|2,0,1]=4 67 B6R0.1 O=C(OCC)CN M10011247P [0,1,0,0,0,0|2,0,1]=4 68 B6R0.2 CC(CC(C)=O)=O M10123299P [0,1,0,0,0,0|1,0,1]=3 69 B6R0.2 CC(N)CC(O)=O M10187780P [0,1,0,0,0,0|0,0,2]=3 70 B6R0.2 CC(NC(N)=N)=O M10079352P [0,1,0,0,0,0|3,0,0]=4 71 B6R0.2 CC(O)CC([O-])=O M10005658P [0,1,0,0,0,0|0,0,3]=4 72 B6R0.2 CC(OC(Br)C)=O M10242154P [0,1,0,0,0,0|2,0,1]=4 73 B6R0.2 C[C@@H](O)CC(O)=O M10016803P [0,1,0,0,0,0|0,0,2]=3 74 B6R0.2 C[C@@H](O)CC([O-])=O M10125260P [0,1,0,0,0,0|0,0,3]=4 75 B6R0.2 C[C@H](N)CC(O)=O M10057573P [0,1,0,0,0,0|0,0,2]=3 76 B6R0.2 C[C@H](N)CC(O)=O M10302309P [0,1,0,0,0,0|0,0,2]=3 77 B6R0.2 C[C@H](O)CC(O)=O M10084600P [0,1,0,0,0,0|0,0,2]=3 78 B6R0.2 C[S+](CC([O-])=O)C M10065707P [0,1,0,0,0,0|1,0,2]=4 79 B6R0.2 O=C(Cl)C=C(C)C M10053608P [0,1,0,0,0,0|1,0,0]=2 80 B6R0.2 O=C(N)CC(N)=N M10224228P [0,1,0,0,0,0|2,0,1]=4 81 B6R0.2 O=C([O-])CN(C)C M10154757P [0,1,0,0,0,0|1,0,2]=4 82 B6R0.3 C=C(C#N)C(O)=O M10138630P [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 C=C(CBr)C(O)=O M10448395P [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 C=C(F)C(OC)=O M10042642P [0,1,0,0,0,0|3,0,0]=4 85 B6R0.3 CC(C(CBr)=O)=O M10070633P [0,1,0,0,0,0|2,0,1]=4 86 B6R0.3 CC(C(NC)=O)=C M10058367P [0,1,0,0,0,0|3,0,0]=4 87 B6R0.3 CC(C(S)CC)=O M10426560P [0,1,0,0,0,0|1,0,2]=4 88 B6R0.3 CC(N(C)C=C)=O M10052111P [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 CC(NC)C(O)=O M10015418P [0,1,0,0,0,0|1,0,1]=3 90 B6R0.3 CC(O)C(OC)=O M10013810P [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CC(OC)C(O)=O M10062023P [0,1,0,0,0,0|1,0,1]=3 92 B6R0.3 CCC(Br)C(Br)=O M10192304P [0,1,0,0,0,0|1,0,2]=4 93 B6R0.3 CCC(C(O)=O)=C M10055842P [0,1,0,0,0,0|0,0,1]=2 94 B6R0.3 C[C@@H](NC)C(O)=O M10206333P [0,1,0,0,0,0|1,0,1]=3 95 B6R0.3 C[C@H](O)C(OC)=O M10199944P [0,1,0,0,0,0|2,0,1]=4 96 B6R0.3 C\C(C(O)=O)=C\C M10014266P [0,1,0,0,0,0|0,0,0]=1 97 B6R0.3 N[C@@H](CS)C(O)=O M10201100P [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 N[C@H](CS)C(O)=O M10832565P [0,1,0,0,0,0|1,0,2]=4 99 B6R0.3 O=C(N)C(NN)=O M10012868P [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 O=C(O)C(N)CS M10631134P [0,1,0,0,0,0|1,0,2]=4 101 B6R0.3 O=C(O)C(O)CCl M10035208P [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 O=C(O)[C@@H](N)CCl M10187309P [0,1,0,0,0,0|1,0,2]=4 103 B6R0.4 C#CCCC(O)=O M10083651P [0,1,0,0,0,0|0,0,3]=4 104 B6R0.4 C=CCCC(Cl)=O M10240332P [0,1,0,0,0,0|1,0,2]=4 105 B6R0.4 C=C\C=C\C(O)=O M10016890P [0,1,0,0,0,0|0,0,1]=2 106 B6R0.4 CC(CCC=C)=O M10003621P [0,1,0,0,0,0|1,0,2]=4 107 B6R0.4 CC(CCCBr)=O M10058337P [0,1,0,0,0,0|1,0,2]=4 108 B6R0.4 CC(NCCO)=O M10005418P [0,1,0,0,0,0|2,0,1]=4 109 B6R0.4 CC(OCCO)=O M10013697P [0,1,0,0,0,0|2,0,1]=4 110 B6R0.4 CC\C=C\C(O)=O M10016889P [0,1,0,0,0,0|0,0,0]=1 111 B6R0.4 CC\C=C\C([O-])=O M12008293P [0,1,0,0,0,0|0,0,1]=2 112 B6R0.4 O=C(Cl)CCCBr M10023246P [0,1,0,0,0,0|1,0,2]=4 113 B6R0.4 O=C(Cl)OCCCl M10016902P [0,1,0,0,0,0|2,0,1]=4 114 B6R0.4 O=C(N)NCCO M10039744P [0,1,0,0,0,0|2,0,1]=4 115 B6R0.4 O=C(O)CCC#N M10140304P [0,1,0,0,0,0|0,0,3]=4 116 B6R0.4 O=C(O)CCCCl M10016891P [0,1,0,0,0,0|0,0,2]=3 117 B6R0.4 O=C(O)CCOC M10045190P [0,1,0,0,0,0|0,0,2]=3 118 B6R0.4 O=C(O)CCSC M10017612P [0,1,0,0,0,0|0,0,2]=3 119 B6R0.4 O=C(O)COCC M10016894P [0,1,0,0,0,0|0,0,2]=3 120 B6R0.4 O=C(O)\C=C\CBr M10127900P [0,1,0,0,0,0|0,0,0]=1 121 B6R0.4 O=C([O-])CNCO M10437440P [0,1,0,0,0,0|1,0,2]=4 122 B6R0.4 O=[Sn](CCCC)O M10042008P [0,1,0,0,0,0|1,0,2]=4 123 B6R0.5 C\C=C/P(O)(O)=O M10189255P [0,1,0,0,0,0|1,0,0]=2 124 B6R0.5 C\C=C\[B-](F)(F)F M10961300P [0,1,0,0,0,0|3,0,0]=4 125 B6R1.2 BrC1=NNC=C1 M10131684P [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 CC1=CC=CN1 M10017268P [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 CC1=CC=NN1 M10522458P [0,0,0,1,0,0|3,0,0]=4 128 B6R1.2 CC1=COC=C1 M10023353P [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 CC1=NCCO1 M10027175P [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 IC1=CSC=C1 M10115512P [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 NC1=CC=NO1 M10132694P [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 NC1=CSC=C1 M10189866P [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 NC1=CSC=C1 M11005288P [0,0,0,1,0,0|3,0,0]=4 134 B6R1.2 O=C1CNCC1 M10002481P [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 O=C1CNCC1 M10057424P [0,0,0,1,0,0|2,0,1]=4 136 B6R1.2 O=C1NCNC1 M10035055P [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 O=C1NCNC1 M10140916P [0,0,0,1,0,0|2,0,1]=4 138 B6R1.2 O=C1NNC=N1 M10023357P [0,0,0,1,0,0|3,0,0]=4 139 B6R1.2 O=C1OCCO1 M10002484P [0,0,0,1,0,0|1,0,1]=3 140 B6R1.2 O=C1SCCN1 M10046694P [0,0,0,1,0,0|1,1,1]=4 141 B6R1.2 O=S1OCCO1 M10057276P [0,0,0,1,0,0|2,0,1]=4 142 B3R0.1 C#CC=O M10016729P [2,0,0,0,0,0|0,0,2]=4 143 B3R0.1 C=CC#N M10003410P [2,0,0,0,0,0|1,0,1]=4 144 B3R0.1 C=CCBr M12278706P [2,0,0,0,0,0|1,0,1]=4 145 B3R0.1 C=CCI M10014069P [2,0,0,0,0,0|1,0,1]=4 146 B3R0.1 C=CCN M10003408P [2,0,0,0,0,0|1,0,1]=4 147 B3R0.1 C=COC M10003420P [2,0,0,0,0,0|1,0,0]=3 148 B3R0.1 C=C[Mg]Cl M10055369P [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 OCC=O M12277445P [2,0,0,0,0,0|1,0,1]=4 150 B3R0.1 ONCC M10249174P [2,0,0,0,0,0|1,0,1]=4 151 B3R0.2 CC(O)=O M10103976P [2,0,0,0,0,0|0,0,0]=2 152 B3R0.2 CC([O-])=O M10013508P [2,0,0,0,0,0|0,0,1]=3 153 B3R0.2 CC([O-])=O M10022986P [2,0,0,0,0,0|0,0,1]=3 154 B3R0.2 CC([O-])=O M10033374P [2,0,0,0,0,0|0,0,1]=3 155 B3R0.2 CC([O-])=O M10051025P [2,0,0,0,0,0|0,0,1]=3 156 B3R0.2 CC([O-])=O M10054051P [2,0,0,0,0,0|0,0,1]=3 157 B3R0.2 CC([O-])=O M10083855P [2,0,0,0,0,0|0,0,1]=3 158 B3R0.2 CC([O-])=O M10108862P [2,0,0,0,0,0|0,0,1]=3 159 B3R0.2 CC([O-])=O M10248137P [2,0,0,0,0,0|0,0,1]=3 160 B3R0.2 CC([O-])=O M10446324P [2,0,0,0,0,0|0,0,1]=3 161 B3R0.2 CC([O-])=O M10641144P [2,0,0,0,0,0|0,0,1]=3 162 B3R0.2 CC([O-])=O M11189623P [2,0,0,0,0,0|0,0,1]=3 163 B3R0.2 CC([O-])=O M11194227P [2,0,0,0,0,0|0,0,1]=3 164 B3R0.2 NC(N)=O M10111063P [2,0,0,0,0,0|2,0,0]=4 165 B3R0.2 O=[P+](C)C M10102480P [2,0,0,0,0,0|2,0,0]=4 166 B3R0.2 OC([O-])=O M10082436P [2,0,0,0,0,0|1,0,0]=3 167 B3R0.2 [O-]C([O-])=O M10013429P [2,0,0,0,0,0|1,0,1]=4 168 B3R0.2 [O-]C([O-])=O M10014782P [2,0,0,0,0,0|1,0,1]=4 169 B3R0.2 [O-]C([O-])=O M10177017P [2,0,0,0,0,0|1,0,1]=4 170 B3R0.2 [O-]C([O-])=O M10295180P [2,0,0,0,0,0|1,0,1]=4 171 B5R0.3 C=CC(NC)=O M10028554P [1,1,0,0,0,0|1,0,0]=3 172 B5R0.3 C=CC(O)C=C M10023103P [1,1,0,0,0,0|1,0,1]=4 173 B5R0.3 C=CC(O)CC M10016219P [1,1,0,0,0,0|1,0,1]=4 174 B5R0.3 C=C[C@H](O)CO M10361006P [1,1,0,0,0,0|0,0,2]=4 175 B5R0.3 CCC(C=O)=C M10023101P [1,1,0,0,0,0|1,0,1]=4 176 B5R0.3 CCC(CBr)=O M10021171P [1,1,0,0,0,0|1,0,1]=4 177 B5R0.3 CCC(NC)=O M10028553P [1,1,0,0,0,0|1,0,1]=4 178 B5R0.3 CCC(NO)=N M10205861P [1,1,0,0,0,0|1,0,1]=4 179 B5R0.3 O=C(CO)CO M10002465P [1,1,0,0,0,0|1,0,1]=4 180 B5R0.3 O=C(OC)C=O M10023106P [1,1,0,0,0,0|1,0,0]=3 181 B5R0.3 O=C(OC)CBr M10002471P [1,1,0,0,0,0|1,0,1]=4 182 B5R0.3 O=C(OC)OC M10016226P [1,1,0,0,0,0|1,0,0]=3 183 B5R0.3 O=S(OC)OC M10016229P [1,1,0,0,0,0|2,0,0]=4 184 B5R0.4 C=CS(=O)(C)=O M10056663P [1,1,0,0,0,0|1,0,1]=4 185 B5R0.4 C=CS(=O)(Cl)=O M12277955P [1,1,0,0,0,0|1,0,1]=4 186 B5R0.4 C=CS(=O)([O-])=O M10050451P [1,1,0,0,0,0|1,0,1]=4 187 B5R0.4 CCS(=O)(O)=O M10015200P [1,1,0,0,0,0|1,0,1]=4 188 B5R0.5 C=C(F)C(O)=O M10010638P [1,1,0,0,0,0|0,0,0]=2 189 B5R0.5 CC(C(C)=C)=O M10021132P [1,1,0,0,0,0|1,0,0]=3 190 B5R0.5 CC(C([O-])=O)=C M10077430P [1,1,0,0,0,0|0,0,1]=3 191 B5R0.5 CC(C([O-])=O)=C M10097056P [1,1,0,0,0,0|0,0,1]=3 192 B5R0.5 CC(C)C([O-])=O M10209916P [1,1,0,0,0,0|0,0,2]=4 193 B5R0.5 CC(F)C(O)=O M10083620P [1,1,0,0,0,0|0,0,1]=3 194 B5R0.5 C[C@@H](Cl)C(Cl)=O M12278061P [1,1,0,0,0,0|1,0,1]=4 195 B5R0.5 C[C@@H](Cl)C(O)=O M10106671P [1,1,0,0,0,0|0,0,1]=3 196 B5R0.5 C[C@@H](O)C(O)=O M10114112P [1,1,0,0,0,0|0,0,1]=3 197 B5R0.5 C[C@H](Br)C(O)=O M10217830P [1,1,0,0,0,0|0,0,1]=3 198 B5R0.5 O=C(C)C([O-])=O M10204094P [1,1,0,0,0,0|0,0,1]=3 199 B5R0.5 O=C(O)C(Br)Cl M10077985P [1,1,0,0,0,0|1,0,1]=4 200 B5R0.5 O=C(O)C(O)=O M10094285P [1,1,0,0,0,0|1,0,0]=3 201 B5R0.5 O=C([O-])C([O-])=O M10013989P [1,1,0,0,0,0|1,0,1]=4 202 B5R0.5 O=C([O-])C([O-])=O M10082392P [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 O=C([O-])C([O-])=O M10193068P [1,1,0,0,0,0|1,0,1]=4 204 B5R0.5 O=C([O-])C([O-])=O M10211923P [1,1,0,0,0,0|1,0,1]=4 205 B5R0.5 O=C([O-])C([O-])=O M10271683P [1,1,0,0,0,0|1,0,1]=4 206 B5R0.5 OC(C)C([O-])=O M10140216P [1,1,0,0,0,0|0,0,2]=4 207 B5R0.5 OC(C)C([O-])=O M10189588P [1,1,0,0,0,0|0,0,2]=4 208 B5R0.5 [O-]C(C)C([O-])=O M10249277P [1,1,0,0,0,0|0,0,2]=4 209 B5R0.2 BrC\C=C\CBr M10099734P [1,1,0,0,0,0|1,0,1]=4 210 B5R0.2 C\C=C\OCC M10023285P [1,1,0,0,0,0|1,0,1]=4 211 B5R0.2 NOC\C=C\Cl M10517974P [1,1,0,0,0,0|1,0,1]=4 212 B5R0.2 NOC\C=C\Cl M10631116P [1,1,0,0,0,0|1,0,1]=4 213 B5R0.2 O=CNNC=O M10016977P [1,1,0,0,0,0|2,0,0]=4 214 B5R0.2 OC\C=C\CCl M10033040P [1,1,0,0,0,0|0,0,1]=3 215 B7R0.2 CC(N)CC(OC)=O M10083532P [0,2,0,0,0,0|0,0,2]=4 216 B7R0.2 CC(O)CC(OC)=O M10031579P [0,2,0,0,0,0|0,0,2]=4 217 B7R0.2 C[C@@H](N)CC(OC)=O M10650212P [0,2,0,0,0,0|0,0,2]=4 218 B7R0.2 O=C(O)CC(O)CN M10190010P [0,2,0,0,0,0|0,0,2]=4 219 B7R0.2 O=C(O)C[C@@H](O)CN M10100168P [0,2,0,0,0,0|0,0,2]=4 220 B7R0.2 OCC(OC(C)C)=O M10016659P [0,2,0,0,0,0|1,0,1]=4 221 B7R0.3 O=C(OC)CCC=O M10126962P [0,2,0,0,0,0|1,0,1]=4 222 B7R0.3 O=C(OC)CCCN M10119950P [0,2,0,0,0,0|0,0,2]=4 223 B7R0.3 O=C(OC)\C=C\OC M10080442P [0,2,0,0,0,0|0,0,0]=2 224 B7R0.5 C=CC[C@@H](N)C(O)=O M10668722P [0,2,0,0,0,0|0,0,2]=4 225 B7R0.5 C=CC[C@H](N)C(O)=O M10826425P [0,2,0,0,0,0|0,0,2]=4 226 B7R0.5 CC(C(CCC)=O)=O M10058081P [0,2,0,0,0,0|1,0,1]=4 227 B7R0.5 CCCC(Br)C(O)=O M10014810P [0,2,0,0,0,0|0,0,2]=4 228 B7R0.5 CCCC(C)C(O)=O M10209692P [0,2,0,0,0,0|0,0,2]=4 229 B7R0.5 CC\C=C(C)\C(O)=O M10051561P [0,2,0,0,0,0|0,0,0]=2 230 B7R0.5 C[C@@H](O)C(OCC)=O M10109851P [0,2,0,0,0,0|1,0,1]=4 231 B7R0.5 O=C(O)C(Cl)COC M10045189P [0,2,0,0,0,0|0,0,2]=4 232 B7R0.5 O=C(O)C(F)CCN M10193859P [0,2,0,0,0,0|0,0,2]=4 233 B7R0.5 O=C(O)C(N)CCN M10024859P [0,2,0,0,0,0|0,0,2]=4 234 B7R0.5 O=C(O)C(OCC)=O M10016281P [0,2,0,0,0,0|0,0,1]=3 235 B7R0.5 O=C(O)[C@@H](N)COC M10217767P [0,2,0,0,0,0|0,0,2]=4 236 B7R0.5 O=C(O)[C@@H](N)COC M10861260P [0,2,0,0,0,0|0,0,2]=4 237 B7R0.5 O=C(O)[C@H](N)COC M10505436P [0,2,0,0,0,0|0,0,2]=4 238 B7R0.5 O=C(O)[C@H](N)COC M10505437P [0,2,0,0,0,0|0,0,2]=4 239 B7R0.5 O=C(OCC)C(N)=O M10016280P [0,2,0,0,0,0|1,0,1]=4 240 B7R0.7 CCCC(OCCl)=O M10221194P [0,2,0,0,0,0|0,0,2]=4 241 B7R0.7 C\C=C\C(OCC)=O M10116065P [0,2,0,0,0,0|0,0,0]=2 242 B7R0.7 O=C(OCC)C=[N+]=[N-] M10016667P [0,2,0,0,0,0|2,0,0]=4 243 B7R0.7 O=C(OCC)\C=C\I M10215517P [0,2,0,0,0,0|1,0,0]=3 244 B7R0.7 O=C(OCCl)OCC M10226366P [0,2,0,0,0,0|1,0,1]=4 245 B7R0.10 C=C(CBr)C(OC)=O M10061142P [0,2,0,0,0,0|1,0,1]=4 246 B7R0.10 C=C(CCl)C(OC)=O M10023089P [0,2,0,0,0,0|1,0,1]=4 247 B7R0.10 C=C(CO)C(OC)=O M10137156P [0,2,0,0,0,0|1,0,1]=4 248 B7R0.9 CC(C)(N)CC(O)=O M10016757P [0,2,0,0,0,0|0,0,2]=4 249 B7R0.9 CC(C)(N)CC(O)=O M10897138P [0,2,0,0,0,0|0,0,2]=4 250 B7R0.9 CC(C)(O)CC(O)=O M10016759P [0,2,0,0,0,0|0,0,2]=4 251 B7R0.16 CC(C(N)C(O)=O)=O M10092972P [0,2,0,0,0,0|0,0,1]=3 252 B7R0.16 CC(C)C(C(O)=O)=O M10019964P [0,2,0,0,0,0|0,0,1]=3 253 B7R0.16 CC(C)C(C([O-])=O)=O M10057013P [0,2,0,0,0,0|0,0,2]=4 254 B7R0.16 CC(C)C(C([O-])=O)=O M10262012P [0,2,0,0,0,0|0,0,2]=4 255 B7R0.16 CC(C)[C@H](C)C(O)=O M10134757P [0,2,0,0,0,0|0,0,2]=4 256 B7R0.16 O=C(O)C(C)C(O)=O M10012870P [0,2,0,0,0,0|1,0,1]=4 257 B7R0.16 O=C(O)C(N(C)C)=O M10218436P [0,2,0,0,0,0|1,0,0]=3 258 B7R0.16 O=C(O)C(O)C(O)=O M10001299P [0,2,0,0,0,0|1,0,1]=4 259 B7R0.13 C=CC(C)(C)C(O)=O M10113674P [0,2,0,0,0,0|0,0,2]=4 260 B7R0.13 CC[C@@](C)(N)C(O)=O M10050652P [0,2,0,0,0,0|0,0,2]=4 261 B7R0.13 CC[C@](C)(N)C(O)=O M10015239P [0,2,0,0,0,0|0,0,2]=4 262 B7R0.4 O=C(Cl)\C=C\OCC M10084811P [0,2,0,0,0,0|1,0,0]=3 263 B7R0.4 O=C(O)CCCC#N M10239045P [0,2,0,0,0,0|0,0,2]=4 264 B7R0.4 O=C(O)CCCCO M10123275P [0,2,0,0,0,0|0,0,2]=4 265 B7R0.4 O=C(O)CCOCC M10062024P [0,2,0,0,0,0|0,0,2]=4 266 B7R0.4 O=C(O)CNCCN M10183221P [0,2,0,0,0,0|0,0,2]=4 267 B7R0.4 O=C(O)COCCC M10276951P [0,2,0,0,0,0|0,0,2]=4 268 B7R0.6 CC(C)=CC=C(C)C M10020099P [0,2,0,0,0,0|2,0,0]=4 269 B7R0.6 CC(C)\C=C\C(O)=O M10114075P [0,2,0,0,0,0|0,0,0]=2 270 B7R0.6 CC(CCC([O-])=O)=O M10183682P [0,2,0,0,0,0|0,0,2]=4 271 B7R0.6 CC(\C=C\N(C)C)=O M10047810P [0,2,0,0,0,0|1,0,0]=3 272 B7R0.6 C[S+](CCC(O)=O)C M10062116P [0,2,0,0,0,0|0,0,2]=4 273 B7R0.6 O=C(C)CCC([O-])=O M10015062P [0,2,0,0,0,0|0,0,2]=4 274 B7R0.6 O=C(O)CCN(C)C M10133339P [0,2,0,0,0,0|0,0,2]=4 275 B7R0.6 O=C(O)\C=C/C(N)=O M10014102P [0,2,0,0,0,0|0,0,1]=3 276 B7R0.6 O=C(O)\C=C/C([O-])=O M10251006P [0,2,0,0,0,0|0,0,1]=3 277 B7R0.6 O=C([O-])\C=C/C(O)=O M10018448P [0,2,0,0,0,0|0,0,1]=3 278 B5R1.2 O=C1NCC1 M10023349P [1,0,0,1,0,0|1,0,1]=4 279 B5R1.1 O1N=CC=C1 M10007514P [1,0,0,1,0,0|1,0,0]=3 280 B5R1.1 S1N=CC=C1 M10007515P [1,0,0,1,0,0|1,1,0]=4 281 B7R1.1 BrCC1=CC=CO1 M10063276P [0,1,0,1,0,0|1,0,1]=4 282 B7R1.1 N#CC1=CC=CO1 M10016313P [0,1,0,1,0,0|1,0,1]=4 283 B7R1.1 O=CC1=CC=CN1 M10846417P [0,1,0,1,0,0|1,0,1]=4 284 B7R1.1 O=CC1=NC=CO1 M10412277P [0,1,0,1,0,0|1,0,1]=4 285 B7R1.1 O=CC1=NNC=C1 M10058610P [0,1,0,1,0,0|2,0,0]=4 286 B7R1.1 OCC1=NNC=C1 M10180756P [0,1,0,1,0,0|2,0,0]=4 287 B7R1.2 CC1=CC(Br)=CS1 M10206144P [0,1,0,1,0,0|1,1,0]=4 288 B7R1.2 CC1=CC=C(Br)O1 M10718133P [0,1,0,1,0,0|1,0,0]=3 289 B7R1.2 CC1=CC=C(Cl)S1 M10148223P [0,1,0,1,0,0|1,1,0]=4 290 B7R1.2 CC1=COC(Br)=N1 M11097892P [0,1,0,1,0,0|2,0,0]=4 291 B7R1.2 CC1=CSC(C)=C1 M10017342P [0,1,0,1,0,0|1,1,0]=4 292 B7R1.2 CC1=CSC(Cl)=N1 M10195545P [0,1,0,1,0,0|2,0,0]=4 293 B7R1.2 CC1=NN(C)C=C1 M10018607P [0,1,0,1,0,0|2,0,0]=4 294 B7R1.2 CN1N=C(Br)C=C1 M10776437P [0,1,0,1,0,0|2,0,0]=4 295 B7R1.2 CN1N=C(Cl)C=C1 M10392492P [0,1,0,1,0,0|2,0,0]=4 296 B7R1.2 NC1=CC(C)=NS1 M10184328P [0,1,0,1,0,0|1,1,0]=4 297 B7R1.2 NC1=CC=C(C)S1 M10282879P [0,1,0,1,0,0|1,1,0]=4 298 B7R1.2 NC1=NC(C)=CO1 M10228028P [0,1,0,1,0,0|2,0,0]=4 299 B7R1.2 NC1=NC=C(C)O1 M10219349P [0,1,0,1,0,0|1,0,0]=3 300 B7R1.2 N[C@H]1COC(C1)=O M10174878P [0,1,0,1,0,0|0,0,2]=4 301 B7R1.2 O=C1CC(CC1)=O M10058164P [0,1,0,1,0,0|1,0,1]=4 302 B7R1.2 O=C1NC(C)=CN1 M10028708P [0,1,0,1,0,0|1,0,0]=3 303 B7R1.2 O=C1NC(CC1)=O M10004579P [0,1,0,1,0,0|2,0,0]=4 304 B7R1.2 O=C1NCC(O1)=O M10040935P [0,1,0,1,0,0|1,0,1]=4 305 B7R1.2 O=C1OC(C)=CC1 M10015036P [0,1,0,1,0,0|0,0,0]=2 306 B7R1.2 O=C1OC(CO1)C M10003516P [0,1,0,1,0,0|0,0,2]=4 307 B7R1.2 O=C1OCC(Cl)O1 M10058922P [0,1,0,1,0,0|1,0,1]=4 308 B7R1.2 O=C1OCC(F)O1 M10694293P [0,1,0,1,0,0|1,0,1]=4 309 B7R1.2 O=C1OC[C@H](C)O1 M10258723P [0,1,0,1,0,0|0,0,2]=4 310 B7R1.2 O=C1OC[C@H](O)C1 M10299052P [0,1,0,1,0,0|0,0,2]=4 311 B7R1.2 OC1=CC(C)=NN1 M10735473P [0,1,0,1,0,0|1,0,0]=3 312 B7R1.3 O=C1NC=NC=C1 M10262703P [0,1,0,1,0,0|1,0,1]=4 313 B7R1.3 O=C1OCCOC1 M10050467P [0,1,0,1,0,0|0,0,2]=4 314 B7R1.3 OC1=CC=CC=C1 M10624650P [0,1,0,1,0,0|1,0,1]=4 315 B7R1.3 OC1=NC=CN=C1 M10086016P [0,1,0,1,0,0|1,0,1]=4 316 B7R1.3 OC1=NC=NC=C1 M10262704P [0,1,0,1,0,0|1,0,1]=4 317 B7R1.4 C=C1CCOC1=O M10013811P [0,1,0,1,0,0|0,0,1]=3 318 B7R1.4 CC1=CCCC1=O M10027183P [0,1,0,1,0,0|1,0,0]=3 319 B7R1.4 NC1=C(C)ON=C1 M10520047P [0,1,0,1,0,0|2,0,0]=4 320 B7R1.4 O=C1NCCC1O M10135336P [0,1,0,1,0,0|1,0,1]=4 321 B7R1.4 O=C1NCC[C@H]1O M10468150P [0,1,0,1,0,0|1,0,1]=4 322 B7R1.4 [Mn]C1=C(C)C=CC1 M10118086P [0,1,0,1,0,0|2,0,0]=4 323 B7R1.22 O=C([C@@H]1OC1)OC M12003527P [0,1,0,1,0,0|1,0,1]=4 324 B7R1.18 O=C(C1NCC1)O M10164146P [0,1,0,1,0,0|0,0,2]=4 325 B7R1.18 O=C(C1OCC1)O M10006194P [0,1,0,1,0,0|0,0,2]=4 326 B7R1.18 O=C([C@@H]1NCC1)O M10110131P [0,1,0,1,0,0|0,0,2]=4 327 B7R1.18 O=C([C@H]1NCC1)O M10875068P [0,1,0,1,0,0|0,0,2]=4 328 B7R1.14 O=S1(C=CCO1)=O M10171812P [0,1,0,1,0,0|1,0,0]=3