0 B4R0.1 C=CC(N)=O DY822472 [0,0,0,0,0,0|2,0,1]=3 1 B4R0.1 CC(=O)CBr DY20986 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CC(=O)CN NO10921 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CC(=O)CO NO11467 [0,0,0,0,0,0|2,0,0]=2 4 B4R0.1 CC(=O)NN NO10881 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 CC(=O)NO NO14961 [0,0,0,0,0,0|2,0,0]=2 6 B4R0.1 CC(C)=NO NO10884 [0,0,0,0,0,0|3,0,0]=3 7 B4R0.1 CC(C)CO DY740701 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(C)NN NO11525 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(C)ON NO13668 [0,0,0,0,0,0|2,1,1]=4 10 B4R0.1 CC(Cl)CCl DY822285 [0,0,0,0,0,0|3,0,1]=4 11 B4R0.1 CC(N)C#N DY568905 [0,0,0,0,0,0|3,0,1]=4 12 B4R0.1 CC(N)C#N DY741121 [0,0,0,0,0,0|3,0,1]=4 13 B4R0.1 CC(N)CO NO21310 [0,0,0,0,0,0|3,0,1]=4 14 B4R0.1 CC(O)CCl DY586846 [0,0,0,0,0,0|2,0,2]=4 15 B4R0.1 CCB(O)O NO13979 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CCC(C)I DY740911 [0,0,0,0,0,0|2,0,1]=3 17 B4R0.1 CCC(N)=O NO11886 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 CCP(Cl)Cl DY525741 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 CNC(N)=S NO11797 [0,0,0,0,0,0|2,1,0]=3 20 B4R0.1 COC(=N)N DY546861 [0,0,0,0,0,0|2,1,0]=3 21 B4R0.1 COC(N)=O NO11667 [0,0,0,0,0,0|1,1,0]=2 22 B4R0.1 C[C@@H](Cl)CO NO20251 [0,0,0,0,0,0|3,0,1]=4 23 B4R0.1 C[C@@H](N)CN DY10147 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 C[C@@H](N)CO NO14182 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 C[C@@H](O)CCl DY20696 [0,0,0,0,0,0|2,0,2]=4 26 B4R0.1 C[C@@H](O)CO DY20330 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 C[C@H](N)CN NO20323 [0,0,0,0,0,0|3,0,1]=4 28 B4R0.1 C[C@H](N)CO DY624919 [0,0,0,0,0,0|3,0,1]=4 29 B4R0.1 C[C@H](N)CO NO19476 [0,0,0,0,0,0|3,0,1]=4 30 B4R0.1 C[C@H](O)C#N DY822232 [0,0,0,0,0,0|2,0,2]=4 31 B4R0.1 C[C@H](O)CCl DY20697 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 C[C@H](O)CN NO14075 [0,0,0,0,0,0|2,0,2]=4 33 B4R0.1 C\C(N)=N\O NO10879 [0,0,0,0,0,0|3,0,0]=3 34 B4R0.1 C\C=C(/C)Br DY10255 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 C\N=[N+](/C)[O-] DY544839 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.1 FC(F)=CCl DY794691 [0,0,0,0,0,0|4,0,0]=4 37 B4R0.1 NC(=O)CBr NO21389 [0,0,0,0,0,0|3,0,0]=3 38 B4R0.1 NC(=O)CS DY570543 [0,0,0,0,0,0|3,0,0]=3 39 B4R0.1 NCC(=O)O NO19951 [0,0,0,0,0,0|3,0,0]=3 40 B4R0.1 NCC(=O)[O-] DY20522 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 NCC(=O)[O-] DY795873 [0,0,0,0,0,0|3,0,0]=3 42 B4R0.1 NCC(=O)[O-] NO10910 [0,0,0,0,0,0|3,0,0]=3 43 B4R0.1 NCC(N)=O NO13806 [0,0,0,0,0,0|3,0,0]=3 44 B4R0.1 NNC(N)=O NO11949 [0,0,0,0,0,0|3,0,0]=3 45 B4R0.1 NNC(N)=S DY516675 [0,0,0,0,0,0|3,1,0]=4 46 B4R0.1 O=C(Br)CBr DY796737 [0,0,0,0,0,0|3,0,0]=3 47 B4R0.1 O=C(Cl)CBr DY21000 [0,0,0,0,0,0|3,0,0]=3 48 B4R0.1 O=C(O)CO NO19334 [0,0,0,0,0,0|3,0,0]=3 49 B4R0.1 O=C([O-])CS DY822459 [0,0,0,0,0,0|3,0,0]=3 50 B4R0.1 O=S([O-])CO NO11936 [0,0,0,0,0,0|4,0,0]=4 51 B4R0.1 ON=C(Br)Br NO18455 [0,0,0,0,0,0|4,0,0]=4 52 B3R0.1 C#CC=O DY743011 [1,0,0,0,0,0|1,0,1]=3 53 B3R0.1 C=CCBr DY41858 [1,0,0,0,0,0|2,0,1]=4 54 B3R0.1 C=CCN DY500409 [1,0,0,0,0,0|2,0,1]=4 55 B3R0.1 CCNC DY822410 [1,0,0,0,0,0|1,0,1]=3 56 B3R0.1 CCNN DY563997 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.1 CNC=O DY513177 [1,0,0,0,0,0|1,0,0]=2 58 B3R0.1 CNOC NO13986 [1,0,0,0,0,0|1,1,0]=3 59 B3R0.1 CSCCl DY584302 [1,0,0,0,0,0|1,0,1]=3 60 B3R0.1 N#CS[Ag] DY530943 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.1 O=CC=O DY562899 [1,0,0,0,0,0|2,0,0]=3 62 B3R0.2 CB(O)O DY508688 [1,0,0,0,0,0|1,1,1]=4 63 B3R0.2 CC(=O)O DY562245 [1,0,0,0,0,0|0,1,0]=2 64 B3R0.2 CC(=O)[O-] DY564465 [1,0,0,0,0,0|0,1,0]=2 65 B3R0.2 CC(=O)[O-] DY822453 [1,0,0,0,0,0|0,1,0]=2 66 B3R0.2 CC(=O)[O-] DY822777 [1,0,0,0,0,0|0,1,0]=2 67 B3R0.2 CC(=O)[O-] DY822867 [1,0,0,0,0,0|0,1,0]=2 68 B3R0.2 CC(=O)[O-] DY822906 [1,0,0,0,0,0|0,1,0]=2 69 B3R0.2 CC(=O)[O-] DY822959 [1,0,0,0,0,0|0,1,0]=2 70 B3R0.2 CC(=O)[O-] DY822960 [1,0,0,0,0,0|0,1,0]=2 71 B3R0.2 CC(=O)[O-] NO11168 [1,0,0,0,0,0|0,1,0]=2 72 B3R0.2 CC(=O)[O-] NO11832 [1,0,0,0,0,0|0,1,0]=2 73 B3R0.2 CC(C)Br DY41864 [1,0,0,0,0,0|1,0,1]=3 74 B3R0.2 CC(C)I DY742309 [1,0,0,0,0,0|1,0,1]=3 75 B3R0.2 CC(C)[O-] DY822961 [1,0,0,0,0,0|0,0,2]=3 76 B3R0.2 CN(C)C DY460488 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.2 CP(Cl)Cl DY566721 [1,0,0,0,0,0|3,0,0]=4 78 B3R0.2 CS(=O)[O-] DY434050 [1,0,0,0,0,0|1,1,0]=3 79 B3R0.2 CS(C)=O DY506586 [1,0,0,0,0,0|1,0,0]=2 80 B3R0.2 C[13C](=O)O DY454749 [1,0,0,0,0,0|0,1,0]=2 81 B3R0.2 C[PH](C)=O DY21075 [1,0,0,0,0,0|1,0,0]=2 82 B3R0.2 C[S+](C)C DY794205 [1,0,0,0,0,0|2,0,0]=3 83 B3R0.2 C[SiH](C)Cl DY822313 [1,0,0,0,0,0|1,1,0]=3 84 B3R0.2 N=C(N)N NO19174 [1,0,0,0,0,0|3,0,0]=4 85 B3R0.2 NC(N)=S NO12023 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.2 N[13C](N)=O DY454839 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.2 O=C([O-])O DY822972 [1,0,0,0,0,0|1,1,0]=3 88 B3R0.2 O=C([O-])[O-] DY557709 [1,0,0,0,0,0|1,1,0]=3 89 B3R0.2 O=C([O-])[O-] DY822905 [1,0,0,0,0,0|1,1,0]=3 90 B3R0.2 O=C([O-])[O-] DY822921 [1,0,0,0,0,0|1,1,0]=3 91 B3R0.2 O=C([O-])[O-] NO11119 [1,0,0,0,0,0|1,1,0]=3 92 B3R0.2 O=I(=O)[O-] DY527079 [1,0,0,0,0,0|2,1,0]=4 93 B3R0.2 O=I(=O)[O-] DY822422 [1,0,0,0,0,0|2,1,0]=4 94 B3R0.2 O=I(=O)[O-] DY822423 [1,0,0,0,0,0|2,1,0]=4 95 B3R0.2 O=I(=O)[O-] DY822563 [1,0,0,0,0,0|2,1,0]=4 96 B3R0.2 O=P(=O)[O-] DY822651 [1,0,0,0,0,0|2,1,0]=4 97 B3R0.2 O=P(=O)[O-] DY822964 [1,0,0,0,0,0|2,1,0]=4 98 B3R0.2 O=S([O-])O DY445110 [1,0,0,0,0,0|2,1,0]=4 99 B3R0.2 O=[N+]([O-])[O-] DY500463 [1,0,0,0,0,0|2,1,0]=4 100 B3R0.2 O=[N+]([O-])[O-] DY822419 [1,0,0,0,0,0|2,1,0]=4 101 B3R0.2 O=[N+]([O-])[O-] DY822420 [1,0,0,0,0,0|2,1,0]=4 102 B3R0.2 O=[N+]([O-])[O-] DY822440 [1,0,0,0,0,0|2,1,0]=4 103 B3R0.2 O=[N+]([O-])[O-] DY822892 [1,0,0,0,0,0|2,1,0]=4 104 B3R0.2 O=[N+]([O-])[O-] DY822908 [1,0,0,0,0,0|2,1,0]=4 105 B3R0.2 O=[N+]([O-])[O-] DY822910 [1,0,0,0,0,0|2,1,0]=4 106 B3R0.2 O=[N+]([O-])[O-] DY822925 [1,0,0,0,0,0|2,1,0]=4 107 B3R0.2 O=[N+]([O-])[O-] DY822931 [1,0,0,0,0,0|2,1,0]=4 108 B3R0.2 O=[N+]([O-])[O-] DY822973 [1,0,0,0,0,0|2,1,0]=4 109 B3R0.2 O=[Se](O)O DY822562 [1,0,0,0,0,0|2,1,0]=4 110 B3R0.2 O=[Se]([O-])[O-] DY822560 [1,0,0,0,0,0|2,1,0]=4 111 B3R0.2 O=[Se]([O-])[O-] DY822561 [1,0,0,0,0,0|2,1,0]=4 112 B3R0.2 O=[Sn]([O-])[O-] DY21161 [1,0,0,0,0,0|2,1,0]=4 113 B3R0.2 O=[Sn]([O-])[O-] DY822883 [1,0,0,0,0,0|2,1,0]=4 114 B3R0.2 O=[Te](=O)=O DY822902 [1,0,0,0,0,0|2,1,0]=4 115 B3R0.2 O=[Te]([O-])[O-] DY822923 [1,0,0,0,0,0|2,1,0]=4 116 B3R0.2 O=[Ti]([O-])[O-] DY822897 [1,0,0,0,0,0|2,1,0]=4 117 B3R0.2 O=[V](=O)[O-] DY822896 [1,0,0,0,0,0|2,1,0]=4 118 B3R0.2 O=[V](=O)[O-] DY822898 [1,0,0,0,0,0|2,1,0]=4 119 B3R0.2 O=[Zr]([O-])[O-] DY822872 [1,0,0,0,0,0|2,1,0]=4 120 B3R0.2 O=[Zr]([O-])[O-] DY822890 [1,0,0,0,0,0|2,1,0]=4 121 B3R0.2 O=[Zr]([O-])[O-] DY822895 [1,0,0,0,0,0|2,1,0]=4 122 B3R0.2 O=[Zr]([O-])[O-] DY822900 [1,0,0,0,0,0|2,1,0]=4 123 B5R0.1 C=C(C)CCBr NO14513 [0,1,0,0,0,0|2,0,0]=3 124 B5R0.1 CC#CC(=O)O DY20776 [0,1,0,0,0,0|2,0,0]=3 125 B5R0.1 CC(=O)O[Ru]Cl DY577947 [0,1,0,0,0,0|1,1,0]=3 126 B5R0.1 CC(=O)\C=N\O NO11520 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.1 CC(=O)\C=N\O NO18968 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.1 CC(C)=CCBr DY41900 [0,1,0,0,0,0|2,0,0]=3 129 B5R0.1 CC(C)=CCCl DY460578 [0,1,0,0,0,0|2,0,0]=3 130 B5R0.1 CC(C)=C[SiH2]Cl DY822351 [0,1,0,0,0,0|2,1,0]=4 131 B5R0.1 CC(C)CCBr DY460632 [0,1,0,0,0,0|2,0,1]=4 132 B5R0.1 CC(N)CCO NO22096 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.1 CCCC(=O)[O-] DY822775 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.1 CCCC(C)=O NO21731 [0,1,0,0,0,0|1,0,0]=2 135 B5R0.1 CCCC(C)O DY741013 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.1 CCNC(C)=O DY564051 [0,1,0,0,0,0|1,0,0]=2 137 B5R0.1 CCOC(C)=N DY500026 [0,1,0,0,0,0|1,1,0]=3 138 B5R0.1 CCSC(=N)N DY505011 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.1 CN(C)CCBr NO10949 [0,1,0,0,0,0|3,0,0]=4 140 B5R0.1 CN(C)CCCl NO14471 [0,1,0,0,0,0|3,0,0]=4 141 B5R0.1 CN(C)CCN NO18603 [0,1,0,0,0,0|3,0,0]=4 142 B5R0.1 CN(C)CCO NO11733 [0,1,0,0,0,0|3,0,0]=4 143 B5R0.1 CNCC(=O)O NO18595 [0,1,0,0,0,0|2,0,0]=3 144 B5R0.1 COCC(=N)N DY535605 [0,1,0,0,0,0|2,1,0]=4 145 B5R0.1 COCC(=O)O NO11579 [0,1,0,0,0,0|1,1,0]=3 146 B5R0.1 COCC(C)O NO20741 [0,1,0,0,0,0|0,1,2]=4 147 B5R0.1 COC[C@@H](C)O NO20249 [0,1,0,0,0,0|0,1,2]=4 148 B5R0.1 COC[C@H](C)N DY623421 [0,1,0,0,0,0|1,1,1]=4 149 B5R0.1 COC[C@H](C)O NO20309 [0,1,0,0,0,0|0,1,2]=4 150 B5R0.1 CSCC(=N)N DY504363 [0,1,0,0,0,0|2,0,0]=3 151 B5R0.1 CSCC(=O)O DY543879 [0,1,0,0,0,0|1,0,0]=2 152 B5R0.1 CSCC(N)=O NO12608 [0,1,0,0,0,0|1,0,0]=2 153 B5R0.1 C[C@@H](N)CCO NO14355 [0,1,0,0,0,0|2,0,1]=4 154 B5R0.1 C[C@H](N)CCO DY625189 [0,1,0,0,0,0|2,0,1]=4 155 B5R0.1 C[C@H](N)CCO NO14356 [0,1,0,0,0,0|2,0,1]=4 156 B5R0.1 C\C(N)=C/C#N DY506903 [0,1,0,0,0,0|2,0,1]=4 157 B5R0.1 C\C=C\C(=O)O DY41882 [0,1,0,0,0,0|2,0,0]=3 158 B5R0.1 C\C=C\[C@H](C)O DY791877 [0,1,0,0,0,0|1,0,2]=4 159 B5R0.1 N#CCC(=O)Cl DY740377 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.1 N#CCC(N)=O NO18594 [0,1,0,0,0,0|2,0,1]=4 161 B5R0.1 NCCC(=O)O NO13499 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 N\C=C\C(N)=O DY741355 [0,1,0,0,0,0|2,0,1]=4 163 B5R0.1 O=C(O)OCCl DY523719 [0,1,0,0,0,0|1,1,0]=3 164 B5R0.3 C=C(C#N)CO DY543495 [0,1,0,0,0,0|3,0,0]=4 165 B5R0.3 C=C(CBr)CBr DY526857 [0,1,0,0,0,0|3,0,0]=4 166 B5R0.3 C=C(CO)CO NO21689 [0,1,0,0,0,0|3,0,0]=4 167 B5R0.3 CCC(=O)OC DY460566 [0,1,0,0,0,0|0,1,0]=2 168 B5R0.3 CCC(N)CO DY20718 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.3 CCC(N)CO DY741331 [0,1,0,0,0,0|2,0,1]=4 170 B5R0.3 CCC(O)CN DY519471 [0,1,0,0,0,0|1,0,2]=4 171 B5R0.3 CCC(O)CO DY822703 [0,1,0,0,0,0|1,0,2]=4 172 B5R0.3 CCN(O)CC DY551655 [0,1,0,0,0,0|2,0,1]=4 173 B5R0.3 CC[C@@H](N)CO NO15119 [0,1,0,0,0,0|2,0,1]=4 174 B5R0.3 CC[C@H](C)C#N DY822231 [0,1,0,0,0,0|2,0,1]=4 175 B5R0.3 CC[C@H](N)CO DY10528 [0,1,0,0,0,0|2,0,1]=4 176 B5R0.3 CC[C@H](O)CO NO15622 [0,1,0,0,0,0|1,0,2]=4 177 B5R0.3 CNC(=O)CCl DY21094 [0,1,0,0,0,0|1,0,0]=2 178 B5R0.3 CNC(=O)CN DY437710 [0,1,0,0,0,0|1,0,0]=2 179 B5R0.3 CNC(=O)CN DY542271 [0,1,0,0,0,0|1,0,0]=2 180 B5R0.3 COC(=O)CF DY822286 [0,1,0,0,0,0|0,1,0]=2 181 B5R0.3 COC(=O)CN NO15045 [0,1,0,0,0,0|0,1,0]=2 182 B5R0.3 COC(=O)CO NO19433 [0,1,0,0,0,0|0,1,0]=2 183 B5R0.3 COC(=O)CS DY20578 [0,1,0,0,0,0|0,1,0]=2 184 B5R0.3 COC(=O)NN DY20825 [0,1,0,0,0,0|1,1,0]=3 185 B5R0.3 COC(=S)NN DY536997 [0,1,0,0,0,0|1,2,0]=4 186 B5R0.3 CO[C@H](C)CN DY622119 [0,1,0,0,0,0|1,1,1]=4 187 B5R0.3 CO[C@H](C)CN NO17733 [0,1,0,0,0,0|1,1,1]=4 188 B5R0.3 CO[C@H](C)CO NO12306 [0,1,0,0,0,0|0,1,2]=4 189 B5R0.3 NNC(=O)NN DY822657 [0,1,0,0,0,0|3,0,0]=4 190 B5R0.3 O=C(CBr)CBr DY572985 [0,1,0,0,0,0|2,0,0]=3 191 B5R0.3 O=C(CO)CO NO11245 [0,1,0,0,0,0|2,0,0]=3 192 B5R0.4 CCC(C)(C)[O-] DY822652 [0,1,0,0,0,0|1,0,2]=4 193 B5R0.4 CCC(C)(C)[O-] DY822653 [0,1,0,0,0,0|1,0,2]=4 194 B5R0.4 CCP(=O)(O)O DY566847 [0,1,0,0,0,0|3,0,0]=4 195 B5R0.4 CNS(=O)(=O)Cl DY584550 [0,1,0,0,0,0|3,0,0]=4 196 B5R0.4 CNS(C)(=O)=O NO17859 [0,1,0,0,0,0|2,0,0]=3 197 B5R0.5 C=C(C)C(=O)O DY740707 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.5 CC(=O)C(C)C DY740329 [0,1,0,0,0,0|1,0,0]=2 199 B5R0.5 CC(=O)C(C)Cl DY740749 [0,1,0,0,0,0|1,0,0]=2 200 B5R0.5 CC(C)C(N)=O NO21696 [0,1,0,0,0,0|2,0,0]=3 201 B5R0.5 CC(O)C(N)=O DY538347 [0,1,0,0,0,0|2,0,0]=3 202 B5R0.5 CN(C)C(=S)[S-] DY822456 [0,1,0,0,0,0|2,1,0]=4 203 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [0,1,0,0,0,0|2,0,0]=3 204 B5R0.5 C[C@@H](N)C(N)=O NO15732 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [0,1,0,0,0,0|2,0,0]=3 206 B5R0.5 C[C@H](Br)C(=O)O DY20444 [0,1,0,0,0,0|2,0,0]=3 207 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [0,1,0,0,0,0|2,0,0]=3 208 B5R0.5 C[C@H](N)C(=O)O NO19143 [0,1,0,0,0,0|2,0,0]=3 209 B5R0.5 C[C@H](N)C(=O)S DY572427 [0,1,0,0,0,0|2,0,0]=3 210 B5R0.5 C[C@H](N)C(N)=O NO22529 [0,1,0,0,0,0|2,0,0]=3 211 B5R0.5 C[C@H](O)C(N)=O DY624997 [0,1,0,0,0,0|2,0,0]=3 212 B5R0.5 NC(=O)C(N)=O DY20822 [0,1,0,0,0,0|3,0,0]=4 213 B5R0.5 O=C(Cl)C(F)Cl DY794697 [0,1,0,0,0,0|3,0,0]=4 214 B5R0.5 O=C(O)C(=O)O DY563517 [0,1,0,0,0,0|3,0,0]=4 215 B5R0.5 O=C(O)C(=O)O DY822364 [0,1,0,0,0,0|3,0,0]=4 216 B5R0.5 O=C(O)C(=O)O NO11387 [0,1,0,0,0,0|3,0,0]=4 217 B5R0.5 O=C(O)C(Cl)Cl DY740833 [0,1,0,0,0,0|3,0,0]=4 218 B5R0.5 O=C([O-])C(=O)O DY822607 [0,1,0,0,0,0|3,0,0]=4 219 B5R0.5 O=C([O-])C(=O)[O-] DY114602 [0,1,0,0,0,0|3,0,0]=4 220 B5R0.5 O=C([O-])C(=O)[O-] DY506772 [0,1,0,0,0,0|3,0,0]=4 221 B5R0.5 O=C([O-])C(=O)[O-] DY822276 [0,1,0,0,0,0|3,0,0]=4 222 B5R0.5 O=C([O-])C(=O)[O-] DY822362 [0,1,0,0,0,0|3,0,0]=4 223 B5R0.5 O=C([O-])C(=O)[O-] DY822363 [0,1,0,0,0,0|3,0,0]=4 224 B5R0.5 O=C([O-])C(=O)[O-] DY822365 [0,1,0,0,0,0|3,0,0]=4 225 B5R0.5 O=C([O-])C(=O)[O-] DY822603 [0,1,0,0,0,0|3,0,0]=4 226 B5R0.5 O=C([O-])C(=O)[O-] DY822604 [0,1,0,0,0,0|3,0,0]=4 227 B5R0.5 O=C([O-])C(=O)[O-] DY822608 [0,1,0,0,0,0|3,0,0]=4 228 B5R0.5 O=C([O-])C(=O)[O-] DY822919 [0,1,0,0,0,0|3,0,0]=4 229 B5R0.5 O=C([O-])C(Cl)Cl DY21032 [0,1,0,0,0,0|3,0,0]=4 230 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [0,1,0,0,0,0|2,0,0]=3 231 B5R1.2 C=C1COC1 DY584212 [0,0,0,1,0,0|3,0,0]=4 232 B5R1.2 C[C@H]1CCN1 DY625021 [0,0,0,1,0,0|2,0,1]=4 233 B5R1.2 ClC1CCC1 DY756391 [0,0,0,1,0,0|2,0,1]=4 234 B5R1.2 O=C1CCC1 DY10479 [0,0,0,1,0,0|1,0,0]=2 235 B5R1.2 O=C1CCO1 DY561045 [0,0,0,1,0,0|0,1,0]=2 236 B5R1.2 O=C1COC1 NO22391 [0,0,0,1,0,0|2,0,0]=3 237 B5R1.2 O=C1CSC1 NO13345 [0,0,0,1,0,0|2,0,0]=3 238 B5R1.2 O=C1O[Mg]O1 DY566343 [0,0,0,1,0,0|2,1,0]=4 239 B5R1.2 OC1CCC1 NO11176 [0,0,0,1,0,0|1,0,2]=4 240 B5R1.3 CC[C@H]1CO1 DY20699 [0,0,0,1,0,0|1,0,2]=4 241 B5R1.3 CNC1CC1 NO13160 [0,0,0,1,0,0|2,0,1]=4 242 B5R1.5 CC1(N)CC1 NO15074 [0,0,0,1,0,0|2,0,1]=4 243 B2R0.1 CC#N NO13723 [2,0,0,0,0,0|1,0,1]=4 244 B2R0.1 CC[O-] DY741049 [2,0,0,0,0,0|0,0,2]=4 245 B2R0.1 CNC NO11262 [2,0,0,0,0,0|1,0,0]=3 246 B2R0.1 CNN DY740389 [2,0,0,0,0,0|2,0,0]=4 247 B2R0.1 CNO NO21748 [2,0,0,0,0,0|1,0,1]=4 248 B2R0.1 CON NO19173 [2,0,0,0,0,0|1,1,0]=4 249 B2R0.1 C[Mg]Br DY10193 [2,0,0,0,0,0|2,0,0]=4 250 B2R0.1 C[Zn]Br DY116062 [2,0,0,0,0,0|2,0,0]=4 251 B2R0.1 O=CO DY559317 [2,0,0,0,0,0|0,1,0]=3 252 B2R0.1 O=C[O-] DY822958 [2,0,0,0,0,0|0,1,0]=3 253 B2R0.1 O=C[O-] DY822974 [2,0,0,0,0,0|0,1,0]=3 254 B2R0.1 O=N[O-] DY523299 [2,0,0,0,0,0|1,1,0]=4 255 B2R0.1 O=[Mn]=O DY822891 [2,0,0,0,0,0|1,1,0]=4 256 B2R0.1 O=[Mo]=O DY822434 [2,0,0,0,0,0|1,1,0]=4 257 B2R0.1 O=[PH2][O-] DY20648 [2,0,0,0,0,0|1,1,0]=4 258 B2R0.1 O=[Pt]=O NO10895 [2,0,0,0,0,0|1,1,0]=4 259 B4R0.2 C#C\C=C\C DY822380 [1,1,0,0,0,0|1,0,1]=4 260 B4R0.2 C=CCCN DY740341 [1,1,0,0,0,0|1,0,1]=4 261 B4R0.2 CCCCBr DY460620 [1,1,0,0,0,0|1,0,1]=4 262 B4R0.2 CCNCC NO11240 [1,1,0,0,0,0|1,0,1]=4 263 B4R0.2 CNCCBr DY584482 [1,1,0,0,0,0|1,0,1]=4 264 B4R0.2 CNCCO NO20910 [1,1,0,0,0,0|1,0,1]=4 265 B4R0.2 COCC=O DY740317 [1,1,0,0,0,0|0,1,0]=3 266 B4R0.2 COCCBr DY578823 [1,1,0,0,0,0|0,1,1]=4 267 B4R0.2 COCCN DY822486 [1,1,0,0,0,0|0,1,1]=4 268 B4R0.2 COCCO DY457570 [1,1,0,0,0,0|0,1,1]=4 269 B4R0.2 CSCSC DY528795 [1,1,0,0,0,0|0,0,1]=3 270 B4R0.2 [Li]CCCC DY790335 [1,1,0,0,0,0|1,0,1]=4 271 B4R0.3 CC(C)(C)N DY822615 [1,1,0,0,0,0|1,0,1]=4 272 B4R0.3 CC(C)(C)[O-] DY21066 [1,1,0,0,0,0|0,0,2]=4 273 B4R0.3 CS(=O)([O-])=S DY536553 [1,1,0,0,0,0|1,0,1]=4 274 B4R0.3 CS(N)(=O)=O NO19901 [1,1,0,0,0,0|1,1,0]=4 275 B4R0.3 C[As](C)(=O)[O-] DY822397 [1,1,0,0,0,0|1,0,0]=3 276 B4R0.3 C[N+](C)(C)C DY551763 [1,1,0,0,0,0|2,0,0]=4 277 B4R0.3 C[N+](C)(C)C DY822810 [1,1,0,0,0,0|2,0,0]=4 278 B4R0.3 C[N+](C)(C)C DY822819 [1,1,0,0,0,0|2,0,0]=4 279 B4R0.3 C[N+](C)(C)C NO12014 [1,1,0,0,0,0|2,0,0]=4 280 B4R0.3 C[N+](C)(C)C NO12015 [1,1,0,0,0,0|2,0,0]=4 281 B4R0.3 C[S+](C)(C)=O DY822545 [1,1,0,0,0,0|1,0,0]=3 282 B4R0.3 C[S+](C)(C)=O NO12054 [1,1,0,0,0,0|1,0,0]=3 283 B6R0.1 C=CC(=O)NCO DY580281 [0,2,0,0,0,0|1,0,1]=4 284 B6R0.1 CCCC(=O)NN NO22544 [0,2,0,0,0,0|2,0,0]=4 285 B6R0.1 CCNC(=O)CN DY461322 [0,2,0,0,0,0|1,0,0]=3 286 B6R0.1 CCOC(=O)CC DY460554 [0,2,0,0,0,0|0,1,0]=3 287 B6R0.1 CCOC(=O)CN DY700831 [0,2,0,0,0,0|0,1,0]=3 288 B6R0.1 CCOC(=O)CN NO15347 [0,2,0,0,0,0|0,1,0]=3 289 B6R0.1 CCOC(=O)CO NO11386 [0,2,0,0,0,0|0,1,0]=3 290 B6R0.1 CCOC(=O)NN NO11383 [0,2,0,0,0,0|1,1,0]=4 291 B6R0.1 CNC(=O)CC#N NO18404 [0,2,0,0,0,0|1,0,0]=3 292 B6R0.1 COC(=N)CCCl DY799605 [0,2,0,0,0,0|1,1,0]=4 293 B6R0.1 COC(=O)CC=O DY740485 [0,2,0,0,0,0|0,1,0]=3 294 B6R0.1 COC(=O)CCCl DY741043 [0,2,0,0,0,0|0,1,0]=3 295 B6R0.1 COC(=O)CCN NO22266 [0,2,0,0,0,0|0,1,0]=3 296 B6R0.1 COC(=O)CSC DY460536 [0,2,0,0,0,0|0,0,0]=2 297 B6R0.1 COCC(=O)NN NO11580 [0,2,0,0,0,0|1,1,0]=4 298 B6R0.1 CS\C(N)=N\C#N DY575301 [0,2,0,0,0,0|1,0,1]=4 299 B6R0.1 O=C(CCl)NCO NO14580 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.2 CC(=O)NC(C)C DY461094 [0,2,0,0,0,0|1,0,0]=3 301 B6R0.2 CC(C)=CC(=O)O NO14947 [0,2,0,0,0,0|2,0,0]=4 302 B6R0.2 CC(C)=CC(N)=O DY795567 [0,2,0,0,0,0|2,0,0]=4 303 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,2,0,0,0,0|2,0,0]=4 304 B6R0.2 CN(C)CC(=O)O NO13413 [0,2,0,0,0,0|2,0,0]=4 305 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,2,0,0,0,0|2,0,0]=4 306 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,2,0,0,0,0|2,0,0]=4 307 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,2,0,0,0,0|2,0,0]=4 308 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,2,0,0,0,0|2,0,0]=4 309 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,2,0,0,0,0|2,0,0]=4 310 B6R0.3 C=CC(=O)N(C)C DY545499 [0,2,0,0,0,0|1,0,1]=4 311 B6R0.3 C=CC(C)C(=O)O DY559155 [0,2,0,0,0,0|2,0,0]=4 312 B6R0.3 CC(=O)C(C)C=O DY459582 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.3 CC(C)C(=O)CCl DY740659 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.3 CC(O)C(=O)O[Ag] DY527883 [0,2,0,0,0,0|1,1,0]=4 315 B6R0.3 CCC(=O)C(=O)O NO21626 [0,2,0,0,0,0|1,0,1]=4 316 B6R0.3 CCC(N)C(=O)O NO14084 [0,2,0,0,0,0|2,0,0]=4 317 B6R0.3 CCC(O)C(=O)O DY562593 [0,2,0,0,0,0|2,0,0]=4 318 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,2,0,0,0,0|2,0,0]=4 319 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,2,0,0,0,0|2,0,0]=4 320 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,2,0,0,0,0|2,0,0]=4 321 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,2,0,0,0,0|2,0,0]=4 322 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,2,0,0,0,0|2,0,0]=4 323 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,2,0,0,0,0|2,0,0]=4 324 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,2,0,0,0,0|2,0,0]=4 325 B6R0.3 CN(C)C(=O)CBr NO14025 [0,2,0,0,0,0|1,0,0]=3 326 B6R0.3 CN(C)C(=O)CCl DY545469 [0,2,0,0,0,0|1,0,0]=3 327 B6R0.3 CN(C)C(=O)CN NO21306 [0,2,0,0,0,0|1,0,0]=3 328 B6R0.3 CNC(=O)[C@@H](C)N DY608176 [0,2,0,0,0,0|1,0,0]=3 329 B6R0.3 CNC(=O)[C@H](C)N DY436151 [0,2,0,0,0,0|1,0,0]=3 330 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,2,0,0,0,0|1,0,1]=4 331 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,2,0,0,0,0|1,0,1]=4 332 B6R0.3 COC(=O)C(C)Br NO14958 [0,2,0,0,0,0|0,1,0]=3 333 B6R0.3 COC(=O)C(C)C DY41931 [0,2,0,0,0,0|0,1,0]=3 334 B6R0.3 COC(=O)C(C)N NO22242 [0,2,0,0,0,0|0,1,0]=3 335 B6R0.3 COC(=O)[C@@H](C)N NO16663 [0,2,0,0,0,0|0,1,0]=3 336 B6R0.3 COC(=O)[C@H](C)Cl NO15798 [0,2,0,0,0,0|0,1,0]=3 337 B6R0.3 COC(=O)[C@H](C)N DY500966 [0,2,0,0,0,0|0,1,0]=3 338 B6R0.3 COC(C)C(=O)O NO14024 [0,2,0,0,0,0|0,1,1]=4 339 B6R0.3 CON(C)C(C)=O NO11789 [0,2,0,0,0,0|0,1,0]=3 340 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,2,0,0,0,0|2,0,0]=4 341 B6R0.3 NC(=O)C(N)CO DY544785 [0,2,0,0,0,0|2,0,0]=4 342 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [0,2,0,0,0,0|2,0,0]=4 343 B6R0.3 NC(=O)[C@H](N)CO DY504027 [0,2,0,0,0,0|2,0,0]=4 344 B6R0.3 NC(CO)C(=O)O NO18949 [0,2,0,0,0,0|2,0,0]=4 345 B6R0.3 NC(CS)C(=O)O NO19655 [0,2,0,0,0,0|2,0,0]=4 346 B6R0.3 NCC(N)C(=O)O DY702709 [0,2,0,0,0,0|2,0,0]=4 347 B6R0.3 NCC(N)C(=O)O DY703093 [0,2,0,0,0,0|2,0,0]=4 348 B6R0.3 NCC(N)C(=O)O NO19624 [0,2,0,0,0,0|2,0,0]=4 349 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,2,0,0,0,0|2,0,0]=4 350 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [0,2,0,0,0,0|2,0,0]=4 351 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,2,0,0,0,0|2,0,0]=4 352 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [0,2,0,0,0,0|2,0,0]=4 353 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,2,0,0,0,0|2,0,0]=4 354 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,2,0,0,0,0|2,0,0]=4 355 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,2,0,0,0,0|2,0,0]=4 356 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,2,0,0,0,0|2,0,0]=4 357 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,2,0,0,0,0|2,0,0]=4 358 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,2,0,0,0,0|2,0,0]=4 359 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,2,0,0,0,0|2,0,0]=4 360 B6R0.3 O=C(O)C(Br)CBr NO15215 [0,2,0,0,0,0|2,0,0]=4 361 B6R0.3 O=C(O)C(Br)CF DY741307 [0,2,0,0,0,0|2,0,0]=4 362 B6R0.3 O=C(O)C(O)CCl DY10790 [0,2,0,0,0,0|2,0,0]=4 363 B6R0.3 O=C(O)[C@H](O)CS DY740539 [0,2,0,0,0,0|2,0,0]=4 364 B6R0.4 C#CCCC(=O)O DY428029 [0,2,0,0,0,0|2,0,0]=4 365 B6R0.4 C=CCCC(=O)O NO15216 [0,2,0,0,0,0|2,0,0]=4 366 B6R0.4 CC(=O)CCCBr NO10305 [0,2,0,0,0,0|1,0,0]=3 367 B6R0.4 CC(=O)CCCCl NO10334 [0,2,0,0,0,0|1,0,0]=3 368 B6R0.4 CC(=O)NCCCl DY33011 [0,2,0,0,0,0|1,0,0]=3 369 B6R0.4 CC(C)=CC[Zn]Cl DY116080 [0,2,0,0,0,0|2,0,0]=4 370 B6R0.4 CC\C=C\C(C)=O DY822743 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.4 CSCCC(C)=O DY740809 [0,2,0,0,0,0|0,0,0]=2 372 B6R0.4 N#CCCC(=O)O NO22262 [0,2,0,0,0,0|2,0,0]=4 373 B6R0.4 NCCCC(=O)O NO14998 [0,2,0,0,0,0|2,0,0]=4 374 B6R0.4 NCCNC(=O)O DY822495 [0,2,0,0,0,0|2,0,0]=4 375 B6R0.4 NC\C=C\C(=O)O DY552195 [0,2,0,0,0,0|2,0,0]=4 376 B6R0.4 O=C(O)CCCBr NO14053 [0,2,0,0,0,0|2,0,0]=4 377 B6R0.9 COC(C=O)OC DY822359 [0,2,0,0,0,0|0,1,1]=4 378 B6R0.7 CC(=O)C(C)(C)Cl DY741007 [0,2,0,0,0,0|1,0,0]=3 379 B6R0.7 CC(C)(Br)C(=O)O NO21332 [0,2,0,0,0,0|2,0,0]=4 380 B6R0.7 CC(C)(C)C(=O)O NO11866 [0,2,0,0,0,0|2,0,0]=4 381 B6R0.7 CC(C)(C)C(=O)[O-] DY504753 [0,2,0,0,0,0|2,0,0]=4 382 B6R0.7 CC(C)(N)C(=O)O NO15358 [0,2,0,0,0,0|2,0,0]=4 383 B6R0.7 CC(C)(N)C(N)=O DY609020 [0,2,0,0,0,0|2,0,0]=4 384 B6R0.7 CC(C)S(C)(=O)=O DY740869 [0,2,0,0,0,0|2,0,0]=4 385 B6R0.7 [2H]C(C)(N)C(=O)O DY454695 [0,2,0,0,0,0|2,0,0]=4 386 B4R1.1 C1CNC1 NO14211 [1,0,0,1,0,0|1,0,1]=4 387 B6R1.2 C=C1CCSC1 DY523665 [0,1,0,1,0,0|1,0,0]=3 388 B6R1.2 CC1=CC=CS1 NO21701 [0,1,0,1,0,0|1,0,1]=4 389 B6R1.2 CC1=CN=CS1 NO10460 [0,1,0,1,0,0|1,0,1]=4 390 B6R1.2 CC1=CSC=N1 NO15621 [0,1,0,1,0,0|1,0,1]=4 391 B6R1.2 CC1=NC=CS1 NO22598 [0,1,0,1,0,0|1,0,1]=4 392 B6R1.2 CC1=NCCC1 NO21664 [0,1,0,1,0,0|2,0,0]=4 393 B6R1.2 N=C1CCCS1 DY556065 [0,1,0,1,0,0|1,0,0]=3 394 B6R1.2 NC1=NCCC1 NO19310 [0,1,0,1,0,0|2,0,0]=4 395 B6R1.2 O=C1CC=NN1 NO20496 [0,1,0,1,0,0|1,0,1]=4 396 B6R1.2 O=C1CCCC1 DY21085 [0,1,0,1,0,0|1,0,0]=3 397 B6R1.2 O=C1CCNC1 NO22412 [0,1,0,1,0,0|1,0,0]=3 398 B6R1.2 O=C1CCOC1 NO18178 [0,1,0,1,0,0|0,1,0]=3 399 B6R1.2 O=C1CCSC1 DY20305 [0,1,0,1,0,0|0,0,0]=2 400 B6R1.2 O=C1N=CCO1 DY565077 [0,1,0,1,0,0|0,1,1]=4 401 B6R1.2 O=C1NCCN1 NO21607 [0,1,0,1,0,0|1,0,0]=3 402 B6R1.2 S=C1NCCN1 DY582963 [0,1,0,1,0,0|1,1,0]=4 403 B6R1.2 S=C1NCCO1 DY561801 [0,1,0,1,0,0|0,2,0]=4 404 B6R1.5 C=C1CC(=O)O1 DY732691 [0,1,0,1,0,0|0,1,1]=4 405 B6R1.5 CN1CC(=O)C1 DY533589 [0,1,0,1,0,0|1,0,0]=3 406 B6R1.5 NC1CC(=O)C1 DY444232 [0,1,0,1,0,0|1,0,0]=3 407 B6R1.5 NC1CC(=O)C1 DY756175 [0,1,0,1,0,0|1,0,0]=3 408 B6R1.10 CC1(N)CSC1 DY113158 [0,1,0,1,0,0|1,0,1]=4 409 B6R1.11 NC(=O)C1CC1 NO16456 [0,1,0,1,0,0|2,0,0]=4 410 B6R1.11 O=C(O)C1CC1 NO13839 [0,1,0,1,0,0|2,0,0]=4 411 B6R1.11 O=C([O-])C1CO1 NO17514 [0,1,0,1,0,0|1,1,0]=4 412 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [0,1,0,1,0,0|1,1,0]=4 413 B6R1.4 NN1CCC1=O DY585858 [0,1,0,1,0,0|1,0,0]=3 414 B6R1.6 NCC1CCS1 DY585795 [0,1,0,1,0,0|1,0,1]=4