0 B4R0.1 C=CC(N)=O DY822472 [0,0,0,0,0,0|1,0,2]=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|3,0,0]=3 5 B4R0.1 CC(=O)NO NO14961 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 CC(C)=NO NO10884 [0,0,0,0,0,0|4,0,0]=4 7 B4R0.1 CC(C)CO DY740701 [0,0,0,0,0,0|3,0,1]=4 8 B4R0.1 CC(Cl)CCl DY822285 [0,0,0,0,0,0|3,0,1]=4 9 B4R0.1 CC(N)CO NO21310 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(O)CCl DY586846 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CCB(O)O NO13979 [0,0,0,0,0,0|1,0,1]=2 12 B4R0.1 CCC(C)I DY740911 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 CCC(N)=O NO11886 [0,0,0,0,0,0|1,0,0]=1 14 B4R0.1 CCP(Cl)Cl DY525741 [0,0,0,0,0,0|3,0,0]=3 15 B4R0.1 CNC(N)=S NO11797 [0,0,0,0,0,0|2,1,0]=3 16 B4R0.1 COC(=N)N DY546861 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 COC(N)=O NO11667 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.1 C[C@@H](Cl)CO NO20251 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C[C@@H](N)CN DY10147 [0,0,0,0,0,0|3,0,1]=4 20 B4R0.1 C[C@@H](N)CO NO14182 [0,0,0,0,0,0|3,0,1]=4 21 B4R0.1 C[C@@H](O)CCl DY20696 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 C[C@@H](O)CO DY20330 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C[C@H](N)CN NO20323 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 C[C@H](N)CO DY624919 [0,0,0,0,0,0|3,0,1]=4 25 B4R0.1 C[C@H](N)CO NO19476 [0,0,0,0,0,0|3,0,1]=4 26 B4R0.1 C[C@H](O)C#N DY822232 [0,0,0,0,0,0|2,0,2]=4 27 B4R0.1 C[C@H](O)CCl DY20697 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.1 C[C@H](O)CN NO14075 [0,0,0,0,0,0|2,0,1]=3 29 B4R0.1 C\C(N)=N\O NO10879 [0,0,0,0,0,0|4,0,0]=4 30 B4R0.1 C\C=C(/C)Br DY10255 [0,0,0,0,0,0|2,0,1]=3 31 B4R0.1 C\N=[N+](/C)[O-] DY544839 [0,0,0,0,0,0|3,0,1]=4 32 B4R0.1 FC(F)=CCl DY794691 [0,0,0,0,0,0|3,0,1]=4 33 B4R0.1 NC(=O)CBr NO21389 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.1 NC(=O)CS DY570543 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.1 NCC(=O)O NO19951 [0,0,0,0,0,0|1,0,0]=1 36 B4R0.1 NCC(=O)[O-] DY20522 [0,0,0,0,0,0|1,0,1]=2 37 B4R0.1 NCC(=O)[O-] DY795873 [0,0,0,0,0,0|1,0,1]=2 38 B4R0.1 NCC(=O)[O-] NO10910 [0,0,0,0,0,0|1,0,1]=2 39 B4R0.1 NCC(N)=O NO13806 [0,0,0,0,0,0|2,0,0]=2 40 B4R0.1 NNC(N)=O NO11949 [0,0,0,0,0,0|3,0,0]=3 41 B4R0.1 NNC(N)=S DY516675 [0,0,0,0,0,0|3,1,0]=4 42 B4R0.1 O=C(Br)CBr DY796737 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.1 O=C(Cl)CBr DY21000 [0,0,0,0,0,0|2,0,0]=2 44 B4R0.1 O=C(O)CO NO19334 [0,0,0,0,0,0|1,0,0]=1 45 B4R0.1 O=C([O-])CS DY822459 [0,0,0,0,0,0|1,0,1]=2 46 B4R0.1 O=S([O-])CO NO11936 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.1 OCC(F)F NO20974 [0,0,0,0,0,0|3,0,1]=4 48 B4R0.1 ON=C(Br)Br NO18455 [0,0,0,0,0,0|4,0,0]=4 49 B3R0.1 C#CC=O DY743011 [1,0,0,0,0,0|0,0,2]=3 50 B3R0.1 C=CCBr DY41858 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.1 C=CCN DY500409 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.1 CCNC DY822410 [1,0,0,0,0,0|2,0,0]=3 53 B3R0.1 CCNN DY563997 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.1 CNC=O DY513177 [1,0,0,0,0,0|1,0,0]=2 55 B3R0.1 CNOC NO13986 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.1 CSCCl DY584302 [1,0,0,0,0,0|2,0,1]=4 57 B3R0.1 NCCBr NO14044 [1,0,0,0,0,0|2,0,1]=4 58 B3R0.1 NCCCl NO16188 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.1 NCCF NO21564 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.1 NCCN DY521541 [1,0,0,0,0,0|2,0,1]=4 61 B3R0.1 NCCN DY561063 [1,0,0,0,0,0|2,0,1]=4 62 B3R0.1 NCCN DY567273 [1,0,0,0,0,0|2,0,1]=4 63 B3R0.1 NCCS DY460548 [1,0,0,0,0,0|1,1,1]=4 64 B3R0.1 O=CC=O DY562899 [1,0,0,0,0,0|1,0,1]=3 65 B3R0.1 OCCF DY822289 [1,0,0,0,0,0|1,0,1]=3 66 B3R0.1 SCCS DY20652 [1,0,0,0,0,0|1,1,1]=4 67 B3R0.2 CB(O)O DY508688 [1,0,0,0,0,0|1,0,1]=3 68 B3R0.2 CC(=O)O DY562245 [1,0,0,0,0,0|0,0,0]=1 69 B3R0.2 CC(=O)[O-] DY564465 [1,0,0,0,0,0|0,0,1]=2 70 B3R0.2 CC(=O)[O-] DY822453 [1,0,0,0,0,0|0,0,1]=2 71 B3R0.2 CC(=O)[O-] DY822777 [1,0,0,0,0,0|0,0,1]=2 72 B3R0.2 CC(=O)[O-] DY822867 [1,0,0,0,0,0|0,0,1]=2 73 B3R0.2 CC(=O)[O-] DY822906 [1,0,0,0,0,0|0,0,1]=2 74 B3R0.2 CC(=O)[O-] DY822959 [1,0,0,0,0,0|0,0,1]=2 75 B3R0.2 CC(=O)[O-] DY822960 [1,0,0,0,0,0|0,0,1]=2 76 B3R0.2 CC(=O)[O-] NO11168 [1,0,0,0,0,0|0,0,1]=2 77 B3R0.2 CC(=O)[O-] NO11832 [1,0,0,0,0,0|0,0,1]=2 78 B3R0.2 CC(C)Br DY41864 [1,0,0,0,0,0|2,0,1]=4 79 B3R0.2 CC(C)I DY742309 [1,0,0,0,0,0|2,0,1]=4 80 B3R0.2 CC(C)[O-] DY822961 [1,0,0,0,0,0|1,0,2]=4 81 B3R0.2 CN(C)C DY460488 [1,0,0,0,0,0|3,0,0]=4 82 B3R0.2 CP(Cl)Cl DY566721 [1,0,0,0,0,0|3,0,0]=4 83 B3R0.2 CS(=O)[O-] DY434050 [1,0,0,0,0,0|1,0,1]=3 84 B3R0.2 CS(C)=O DY506586 [1,0,0,0,0,0|2,0,0]=3 85 B3R0.2 C[13C](=O)O DY454749 [1,0,0,0,0,0|0,0,0]=1 86 B3R0.2 C[PH](C)=O DY21075 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.2 C[S+](C)C DY794205 [1,0,0,0,0,0|3,0,0]=4 88 B3R0.2 C[SiH](C)Cl DY822313 [1,0,0,0,0,0|2,1,0]=4 89 B3R0.2 N=C(N)N NO19174 [1,0,0,0,0,0|3,0,0]=4 90 B3R0.2 NC(N)=S NO12023 [1,0,0,0,0,0|2,1,0]=4 91 B3R0.2 N[13C](N)=O DY454839 [1,0,0,0,0,0|2,0,0]=3 92 B3R0.2 O=C([O-])O DY822972 [1,0,0,0,0,0|1,0,0]=2 93 B3R0.2 O=C([O-])[O-] DY557709 [1,0,0,0,0,0|1,0,1]=3 94 B3R0.2 O=C([O-])[O-] DY822905 [1,0,0,0,0,0|1,0,1]=3 95 B3R0.2 O=C([O-])[O-] DY822921 [1,0,0,0,0,0|1,0,1]=3 96 B3R0.2 O=C([O-])[O-] NO11119 [1,0,0,0,0,0|1,0,1]=3 97 B3R0.2 O=I(=O)[O-] DY527079 [1,0,0,0,0,0|2,0,1]=4 98 B3R0.2 O=I(=O)[O-] DY822422 [1,0,0,0,0,0|2,0,1]=4 99 B3R0.2 O=I(=O)[O-] DY822423 [1,0,0,0,0,0|2,0,1]=4 100 B3R0.2 O=I(=O)[O-] DY822563 [1,0,0,0,0,0|2,0,1]=4 101 B3R0.2 O=P(=O)[O-] DY822651 [1,0,0,0,0,0|2,0,1]=4 102 B3R0.2 O=P(=O)[O-] DY822964 [1,0,0,0,0,0|2,0,1]=4 103 B3R0.2 O=S([O-])O DY445110 [1,0,0,0,0,0|2,0,0]=3 104 B3R0.2 O=[N+]([O-])[O-] DY500463 [1,0,0,0,0,0|2,0,1]=4 105 B3R0.2 O=[N+]([O-])[O-] DY822419 [1,0,0,0,0,0|2,0,1]=4 106 B3R0.2 O=[N+]([O-])[O-] DY822420 [1,0,0,0,0,0|2,0,1]=4 107 B3R0.2 O=[N+]([O-])[O-] DY822440 [1,0,0,0,0,0|2,0,1]=4 108 B3R0.2 O=[N+]([O-])[O-] DY822892 [1,0,0,0,0,0|2,0,1]=4 109 B3R0.2 O=[N+]([O-])[O-] DY822908 [1,0,0,0,0,0|2,0,1]=4 110 B3R0.2 O=[N+]([O-])[O-] DY822910 [1,0,0,0,0,0|2,0,1]=4 111 B3R0.2 O=[N+]([O-])[O-] DY822925 [1,0,0,0,0,0|2,0,1]=4 112 B3R0.2 O=[N+]([O-])[O-] DY822931 [1,0,0,0,0,0|2,0,1]=4 113 B3R0.2 O=[N+]([O-])[O-] DY822973 [1,0,0,0,0,0|2,0,1]=4 114 B3R0.2 O=[Se](O)O DY822562 [1,0,0,0,0,0|2,0,0]=3 115 B3R0.2 O=[Se]([O-])[O-] DY822560 [1,0,0,0,0,0|2,0,1]=4 116 B3R0.2 O=[Se]([O-])[O-] DY822561 [1,0,0,0,0,0|2,0,1]=4 117 B3R0.2 O=[Sn]([O-])[O-] DY21161 [1,0,0,0,0,0|2,0,1]=4 118 B3R0.2 O=[Sn]([O-])[O-] DY822883 [1,0,0,0,0,0|2,0,1]=4 119 B3R0.2 O=[Te](=O)=O DY822902 [1,0,0,0,0,0|2,0,1]=4 120 B3R0.2 O=[Te]([O-])[O-] DY822923 [1,0,0,0,0,0|2,0,1]=4 121 B3R0.2 O=[Ti]([O-])[O-] DY822897 [1,0,0,0,0,0|2,0,1]=4 122 B3R0.2 O=[V](=O)[O-] DY822896 [1,0,0,0,0,0|2,0,1]=4 123 B3R0.2 O=[V](=O)[O-] DY822898 [1,0,0,0,0,0|2,0,1]=4 124 B3R0.2 O=[Zr]([O-])[O-] DY822872 [1,0,0,0,0,0|2,0,1]=4 125 B3R0.2 O=[Zr]([O-])[O-] DY822890 [1,0,0,0,0,0|2,0,1]=4 126 B3R0.2 O=[Zr]([O-])[O-] DY822895 [1,0,0,0,0,0|2,0,1]=4 127 B3R0.2 O=[Zr]([O-])[O-] DY822900 [1,0,0,0,0,0|2,0,1]=4 128 B3R0.2 OB(O)O DY822352 [1,0,0,0,0,0|2,0,1]=4 129 B3R0.2 OB(O)O DY822376 [1,0,0,0,0,0|2,0,1]=4 130 B3R0.2 O[10B](O)O DY822544 [1,0,0,0,0,0|2,0,1]=4 131 B3R0.2 O[11B](O)O DY822543 [1,0,0,0,0,0|2,0,1]=4 132 B3R0.2 [O-]P(O)O DY822014 [1,0,0,0,0,0|2,0,1]=4 133 B5R0.1 C=C(C)CCBr NO14513 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.1 CC#CC(=O)O DY20776 [0,1,0,0,0,0|0,0,1]=2 135 B5R0.1 CC(=O)O[Ru]Cl DY577947 [0,1,0,0,0,0|3,0,0]=4 136 B5R0.1 CC(=O)\C=N\O NO11520 [0,1,0,0,0,0|2,0,1]=4 137 B5R0.1 CC(=O)\C=N\O NO18968 [0,1,0,0,0,0|2,0,1]=4 138 B5R0.1 CC(C)=CCBr DY41900 [0,1,0,0,0,0|2,0,1]=4 139 B5R0.1 CC(C)=CCCl DY460578 [0,1,0,0,0,0|2,0,1]=4 140 B5R0.1 CC(C)CCBr DY460632 [0,1,0,0,0,0|2,0,1]=4 141 B5R0.1 CC(N)CCO NO22096 [0,1,0,0,0,0|2,0,1]=4 142 B5R0.1 CC(O)CON NO17735 [0,1,0,0,0,0|2,0,1]=4 143 B5R0.1 CCCB(O)O NO14802 [0,1,0,0,0,0|1,0,1]=3 144 B5R0.1 CCCC(=O)[O-] DY822775 [0,1,0,0,0,0|0,0,1]=2 145 B5R0.1 CCCC(C)=O NO21731 [0,1,0,0,0,0|1,0,0]=2 146 B5R0.1 CCCC(C)O DY741013 [0,1,0,0,0,0|1,0,1]=3 147 B5R0.1 CCNC(C)=O DY564051 [0,1,0,0,0,0|1,0,0]=2 148 B5R0.1 CCOC(C)=N DY500026 [0,1,0,0,0,0|2,0,0]=3 149 B5R0.1 CCSC(=N)N DY505011 [0,1,0,0,0,0|2,0,0]=3 150 B5R0.1 CN(C)CCBr NO10949 [0,1,0,0,0,0|3,0,0]=4 151 B5R0.1 CN(C)CCCl NO14471 [0,1,0,0,0,0|3,0,0]=4 152 B5R0.1 CN(C)CCN NO18603 [0,1,0,0,0,0|3,0,0]=4 153 B5R0.1 CN(C)CCO NO11733 [0,1,0,0,0,0|3,0,0]=4 154 B5R0.1 CNCC(=O)O NO18595 [0,1,0,0,0,0|0,0,0]=1 155 B5R0.1 COCC(=N)N DY535605 [0,1,0,0,0,0|2,0,0]=3 156 B5R0.1 COCC(=O)O NO11579 [0,1,0,0,0,0|0,0,0]=1 157 B5R0.1 COCC(C)O NO20741 [0,1,0,0,0,0|1,0,1]=3 158 B5R0.1 COC[C@@H](C)O NO20249 [0,1,0,0,0,0|1,0,1]=3 159 B5R0.1 COC[C@H](C)N DY623421 [0,1,0,0,0,0|2,0,1]=4 160 B5R0.1 COC[C@H](C)O NO20309 [0,1,0,0,0,0|1,0,1]=3 161 B5R0.1 CSCC(=N)N DY504363 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 CSCC(=O)O DY543879 [0,1,0,0,0,0|0,0,0]=1 163 B5R0.1 CSCC(N)=O NO12608 [0,1,0,0,0,0|1,0,0]=2 164 B5R0.1 C[C@@H](N)CCO NO14355 [0,1,0,0,0,0|2,0,1]=4 165 B5R0.1 C[C@H](N)CCO DY625189 [0,1,0,0,0,0|2,0,1]=4 166 B5R0.1 C[C@H](N)CCO NO14356 [0,1,0,0,0,0|2,0,1]=4 167 B5R0.1 C[C@H](O)CC#N DY625225 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.1 C\C=C\C(=O)O DY41882 [0,1,0,0,0,0|0,0,1]=2 169 B5R0.1 C\C=C\[C@H](C)O DY791877 [0,1,0,0,0,0|1,0,2]=4 170 B5R0.1 FCCC(F)F DY793407 [0,1,0,0,0,0|2,0,1]=4 171 B5R0.1 N#CCC(=O)Cl DY740377 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.1 N#CCC(N)=O NO18594 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.1 NCCC(=O)O NO13499 [0,1,0,0,0,0|0,0,0]=1 174 B5R0.1 N\C=C\C(N)=O DY741355 [0,1,0,0,0,0|1,0,2]=4 175 B5R0.1 O=C(O)OCCl DY523719 [0,1,0,0,0,0|1,0,0]=2 176 B5R0.1 PCCC(Cl)Cl DY527415 [0,1,0,0,0,0|2,0,1]=4 177 B5R0.3 C=C(C#N)CO DY543495 [0,1,0,0,0,0|2,0,1]=4 178 B5R0.3 C=C(CBr)CBr DY526857 [0,1,0,0,0,0|3,0,0]=4 179 B5R0.3 C=C(CO)CO NO21689 [0,1,0,0,0,0|2,0,0]=3 180 B5R0.3 C=C[C@H](O)CO DY625759 [0,1,0,0,0,0|2,0,1]=4 181 B5R0.3 CCC(=O)OC DY460566 [0,1,0,0,0,0|0,0,0]=1 182 B5R0.3 CCC(Br)C#N DY789951 [0,1,0,0,0,0|2,0,1]=4 183 B5R0.3 CCC(N)CO DY20718 [0,1,0,0,0,0|1,0,1]=3 184 B5R0.3 CCC(N)CO DY741331 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.3 CCC(O)CN DY519471 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.3 CCC(O)CO DY822703 [0,1,0,0,0,0|0,0,2]=3 187 B5R0.3 CCN(O)CC DY551655 [0,1,0,0,0,0|2,0,0]=3 188 B5R0.3 CC[C@@H](N)CO NO15119 [0,1,0,0,0,0|1,0,1]=3 189 B5R0.3 CC[C@H](C)C#N DY822231 [0,1,0,0,0,0|2,0,1]=4 190 B5R0.3 CC[C@H](N)CO DY10528 [0,1,0,0,0,0|1,0,1]=3 191 B5R0.3 CC[C@H](O)CO NO15622 [0,1,0,0,0,0|0,0,2]=3 192 B5R0.3 CNC(=O)CCl DY21094 [0,1,0,0,0,0|2,0,0]=3 193 B5R0.3 CNC(=O)CN DY437710 [0,1,0,0,0,0|2,0,0]=3 194 B5R0.3 CNC(=O)CN DY542271 [0,1,0,0,0,0|2,0,0]=3 195 B5R0.3 COC(=O)CF DY822286 [0,1,0,0,0,0|1,0,0]=2 196 B5R0.3 COC(=O)CN NO15045 [0,1,0,0,0,0|1,0,0]=2 197 B5R0.3 COC(=O)CO NO19433 [0,1,0,0,0,0|1,0,0]=2 198 B5R0.3 COC(=O)CS DY20578 [0,1,0,0,0,0|1,0,0]=2 199 B5R0.3 COC(=O)NN DY20825 [0,1,0,0,0,0|2,0,0]=3 200 B5R0.3 COC(=S)NN DY536997 [0,1,0,0,0,0|2,1,0]=4 201 B5R0.3 CO[C@H](C)CN DY622119 [0,1,0,0,0,0|2,0,1]=4 202 B5R0.3 CO[C@H](C)CN NO17733 [0,1,0,0,0,0|2,0,1]=4 203 B5R0.3 CO[C@H](C)CO NO12306 [0,1,0,0,0,0|2,0,1]=4 204 B5R0.3 NC(CO)CO NO18352 [0,1,0,0,0,0|2,0,1]=4 205 B5R0.3 NCC(O)CN NO14232 [0,1,0,0,0,0|2,0,1]=4 206 B5R0.3 NCC(O)CO NO18397 [0,1,0,0,0,0|1,0,2]=4 207 B5R0.3 NC[C@@H](O)CO NO14832 [0,1,0,0,0,0|1,0,2]=4 208 B5R0.3 NC[C@H](O)CCl DY427329 [0,1,0,0,0,0|2,0,1]=4 209 B5R0.3 NC[C@H](O)CO DY20311 [0,1,0,0,0,0|1,0,2]=4 210 B5R0.3 NNC(=O)NN DY822657 [0,1,0,0,0,0|3,0,0]=4 211 B5R0.3 O=C(CBr)CBr DY572985 [0,1,0,0,0,0|2,0,0]=3 212 B5R0.3 O=C(CO)CO NO11245 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.3 OC[C@@H](O)CCl NO15061 [0,1,0,0,0,0|1,0,2]=4 214 B5R0.3 OC[C@H](O)CCl DY20314 [0,1,0,0,0,0|1,0,2]=4 215 B5R0.4 CC(C)(O)CN NO20593 [0,1,0,0,0,0|2,0,1]=4 216 B5R0.4 CCC(C)(C)[O-] DY822652 [0,1,0,0,0,0|1,0,2]=4 217 B5R0.4 CCC(C)(C)[O-] DY822653 [0,1,0,0,0,0|1,0,2]=4 218 B5R0.4 CCP(=O)(O)O DY566847 [0,1,0,0,0,0|1,0,0]=2 219 B5R0.4 CNS(=O)(=O)Cl DY584550 [0,1,0,0,0,0|2,0,1]=4 220 B5R0.4 CNS(C)(=O)=O NO17859 [0,1,0,0,0,0|2,0,1]=4 221 B5R0.5 C=C(C)C(=O)O DY740707 [0,1,0,0,0,0|0,0,1]=2 222 B5R0.5 CC(=O)C(C)C DY740329 [0,1,0,0,0,0|1,0,0]=2 223 B5R0.5 CC(=O)C(C)Cl DY740749 [0,1,0,0,0,0|1,0,0]=2 224 B5R0.5 CC(C)B(O)O DY454222 [0,1,0,0,0,0|1,0,1]=3 225 B5R0.5 CC(C)C(N)=O NO21696 [0,1,0,0,0,0|1,0,0]=2 226 B5R0.5 CC(O)C(N)=O DY538347 [0,1,0,0,0,0|1,0,0]=2 227 B5R0.5 CN(C)C(=S)[S-] DY822456 [0,1,0,0,0,0|1,2,0]=4 228 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [0,1,0,0,0,0|0,0,0]=1 229 B5R0.5 C[C@@H](N)C(N)=O NO15732 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [0,1,0,0,0,0|0,0,1]=2 231 B5R0.5 C[C@H](Br)C(=O)O DY20444 [0,1,0,0,0,0|0,0,0]=1 232 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [0,1,0,0,0,0|0,0,0]=1 233 B5R0.5 C[C@H](N)C(=O)O NO19143 [0,1,0,0,0,0|0,0,0]=1 234 B5R0.5 C[C@H](N)C(=O)S DY572427 [0,1,0,0,0,0|0,1,0]=2 235 B5R0.5 C[C@H](N)C(N)=O NO22529 [0,1,0,0,0,0|1,0,0]=2 236 B5R0.5 C[C@H](O)C(N)=O DY624997 [0,1,0,0,0,0|1,0,0]=2 237 B5R0.5 N=C(N)S(=O)O DY531987 [0,1,0,0,0,0|2,0,1]=4 238 B5R0.5 NC(=O)C(N)=O DY20822 [0,1,0,0,0,0|2,0,1]=4 239 B5R0.5 O=C(Cl)C(F)Cl DY794697 [0,1,0,0,0,0|2,0,0]=3 240 B5R0.5 O=C(O)C(=O)O DY563517 [0,1,0,0,0,0|1,0,1]=3 241 B5R0.5 O=C(O)C(=O)O DY822364 [0,1,0,0,0,0|1,0,1]=3 242 B5R0.5 O=C(O)C(=O)O NO11387 [0,1,0,0,0,0|1,0,1]=3 243 B5R0.5 O=C(O)C(Cl)Cl DY740833 [0,1,0,0,0,0|1,0,0]=2 244 B5R0.5 O=C([O-])C(=O)O DY822607 [0,1,0,0,0,0|1,0,1]=3 245 B5R0.5 O=C([O-])C(=O)[O-] DY114602 [0,1,0,0,0,0|1,0,2]=4 246 B5R0.5 O=C([O-])C(=O)[O-] DY506772 [0,1,0,0,0,0|1,0,2]=4 247 B5R0.5 O=C([O-])C(=O)[O-] DY822276 [0,1,0,0,0,0|1,0,2]=4 248 B5R0.5 O=C([O-])C(=O)[O-] DY822362 [0,1,0,0,0,0|1,0,2]=4 249 B5R0.5 O=C([O-])C(=O)[O-] DY822363 [0,1,0,0,0,0|1,0,2]=4 250 B5R0.5 O=C([O-])C(=O)[O-] DY822365 [0,1,0,0,0,0|1,0,2]=4 251 B5R0.5 O=C([O-])C(=O)[O-] DY822603 [0,1,0,0,0,0|1,0,2]=4 252 B5R0.5 O=C([O-])C(=O)[O-] DY822604 [0,1,0,0,0,0|1,0,2]=4 253 B5R0.5 O=C([O-])C(=O)[O-] DY822608 [0,1,0,0,0,0|1,0,2]=4 254 B5R0.5 O=C([O-])C(=O)[O-] DY822919 [0,1,0,0,0,0|1,0,2]=4 255 B5R0.5 O=C([O-])C(Cl)Cl DY21032 [0,1,0,0,0,0|1,0,1]=3 256 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [0,1,0,0,0,0|0,0,0]=1 257 B5R1.2 C=C1COC1 DY584212 [0,0,0,1,0,0|3,0,0]=4 258 B5R1.2 C[C@H]1CCN1 DY625021 [0,0,0,1,0,0|2,0,1]=4 259 B5R1.2 ClC1CCC1 DY756391 [0,0,0,1,0,0|2,0,1]=4 260 B5R1.2 O=C1CCC1 DY10479 [0,0,0,1,0,0|1,0,0]=2 261 B5R1.2 O=C1CCO1 DY561045 [0,0,0,1,0,0|0,0,0]=1 262 B5R1.2 O=C1COC1 NO22391 [0,0,0,1,0,0|2,0,0]=3 263 B5R1.2 O=C1CSC1 NO13345 [0,0,0,1,0,0|2,0,0]=3 264 B5R1.2 O=C1O[Mg]O1 DY566343 [0,0,0,1,0,0|2,0,0]=3 265 B5R1.2 OC1CCC1 NO11176 [0,0,0,1,0,0|1,0,1]=3 266 B5R1.2 OC1CNC1 NO14687 [0,0,0,1,0,0|2,0,1]=4 267 B5R1.2 OC1COC1 NO19329 [0,0,0,1,0,0|2,0,1]=4 268 B5R1.3 BrCC1CO1 DY822350 [0,0,0,1,0,0|2,0,1]=4 269 B5R1.3 BrC[C@H]1CO1 DY822260 [0,0,0,1,0,0|2,0,1]=4 270 B5R1.3 CC[C@H]1CO1 DY20699 [0,0,0,1,0,0|1,0,1]=3 271 B5R1.3 ClC[C@@H]1CO1 DY20322 [0,0,0,1,0,0|2,0,1]=4 272 B5R1.3 ClC[C@H]1CO1 DY557877 [0,0,0,1,0,0|2,0,1]=4 273 B5R1.5 CC1(N)CC1 NO15074 [0,0,0,1,0,0|2,0,1]=4 274 B2R0.1 CC#N NO13723 [2,0,0,0,0,0|1,0,1]=4 275 B2R0.1 CC[O-] DY741049 [2,0,0,0,0,0|0,0,1]=3 276 B2R0.1 CNC NO11262 [2,0,0,0,0,0|1,0,1]=4 277 B2R0.1 CNN DY740389 [2,0,0,0,0,0|2,0,0]=4 278 B2R0.1 CNO NO21748 [2,0,0,0,0,0|1,0,0]=3 279 B2R0.1 CON NO19173 [2,0,0,0,0,0|2,0,0]=4 280 B2R0.1 C[Mg]Br DY10193 [2,0,0,0,0,0|2,0,0]=4 281 B2R0.1 C[Zn]Br DY116062 [2,0,0,0,0,0|2,0,0]=4 282 B2R0.1 O=CO DY559317 [2,0,0,0,0,0|0,0,0]=2 283 B2R0.1 O=C[O-] DY822958 [2,0,0,0,0,0|0,0,1]=3 284 B2R0.1 O=C[O-] DY822974 [2,0,0,0,0,0|0,0,1]=3 285 B2R0.1 O=N[O-] DY523299 [2,0,0,0,0,0|1,0,1]=4 286 B2R0.1 O=[Mn]=O DY822891 [2,0,0,0,0,0|1,0,1]=4 287 B2R0.1 O=[Mo]=O DY822434 [2,0,0,0,0,0|1,0,1]=4 288 B2R0.1 O=[PH2][O-] DY20648 [2,0,0,0,0,0|1,0,1]=4 289 B2R0.1 O=[Pt]=O NO10895 [2,0,0,0,0,0|1,0,1]=4 290 B4R0.2 BrCCCBr DY459264 [1,1,0,0,0,0|1,0,1]=4 291 B4R0.2 C#CCCI DY554547 [1,1,0,0,0,0|1,0,1]=4 292 B4R0.2 C#CCCO DY580491 [1,1,0,0,0,0|0,0,2]=4 293 B4R0.2 C#C\C=C\C DY822380 [1,1,0,0,0,0|1,0,1]=4 294 B4R0.2 C=CCCN DY740341 [1,1,0,0,0,0|1,0,0]=3 295 B4R0.2 CCCCBr DY460620 [1,1,0,0,0,0|1,0,1]=4 296 B4R0.2 CCNCC NO11240 [1,1,0,0,0,0|1,0,1]=4 297 B4R0.2 CNCC#N NO19888 [1,1,0,0,0,0|1,0,1]=4 298 B4R0.2 CNCCBr DY584482 [1,1,0,0,0,0|1,0,1]=4 299 B4R0.2 CNCCO NO20910 [1,1,0,0,0,0|0,0,1]=3 300 B4R0.2 COCC=O DY740317 [1,1,0,0,0,0|0,0,0]=2 301 B4R0.2 COCCBr DY578823 [1,1,0,0,0,0|1,0,1]=4 302 B4R0.2 COCCN DY822486 [1,1,0,0,0,0|1,0,1]=4 303 B4R0.2 COCCO DY457570 [1,1,0,0,0,0|0,0,1]=3 304 B4R0.2 CSCSC DY528795 [1,1,0,0,0,0|2,0,0]=4 305 B4R0.2 FCCCF DY822298 [1,1,0,0,0,0|1,0,1]=4 306 B4R0.2 ICCCI DY564171 [1,1,0,0,0,0|1,0,1]=4 307 B4R0.2 N#CCCBr NO22188 [1,1,0,0,0,0|1,0,1]=4 308 B4R0.2 N#CCCN DY526113 [1,1,0,0,0,0|1,0,1]=4 309 B4R0.2 NCCCBr NO22190 [1,1,0,0,0,0|1,0,1]=4 310 B4R0.2 OCCCF DY822290 [1,1,0,0,0,0|0,0,1]=3 311 B4R0.2 SCCCS DY740347 [1,1,0,0,0,0|0,1,1]=4 312 B4R0.2 [Li]CCCC DY790335 [1,1,0,0,0,0|1,0,1]=4 313 B4R0.3 CS(=O)([O-])=S DY536553 [1,1,0,0,0,0|1,0,1]=4 314 B4R0.3 CS(N)(=O)=O NO19901 [1,1,0,0,0,0|1,0,1]=4 315 B4R0.3 C[As](C)(=O)[O-] DY822397 [1,1,0,0,0,0|1,0,1]=4 316 B4R0.3 C[S+](C)(C)=O DY822545 [1,1,0,0,0,0|2,0,0]=4 317 B4R0.3 C[S+](C)(C)=O NO12054 [1,1,0,0,0,0|2,0,0]=4 318 B4R0.3 O=I(=O)(=O)O DY20542 [1,1,0,0,0,0|2,0,0]=4 319 B4R0.3 O=P([O-])(O)O DY822913 [1,1,0,0,0,0|2,0,0]=4 320 B4R0.3 O=P([O-])(O)O DY822963 [1,1,0,0,0,0|2,0,0]=4 321 B4R0.3 O=P([O-])([O-])O DY571437 [1,1,0,0,0,0|2,0,0]=4 322 B4R0.3 O=P([O-])([O-])O DY571563 [1,1,0,0,0,0|2,0,0]=4 323 B4R0.3 O=P([O-])([O-])O DY822015 [1,1,0,0,0,0|2,0,0]=4 324 B4R0.3 O=S(=O)(O)O DY822857 [1,1,0,0,0,0|2,0,0]=4 325 B4R0.3 O=S(=O)(O)O NO11689 [1,1,0,0,0,0|2,0,0]=4 326 B4R0.3 O=[As](O)(O)O DY822388 [1,1,0,0,0,0|2,0,0]=4 327 B4R0.3 O=[As]([O-])(O)O DY822389 [1,1,0,0,0,0|2,0,0]=4 328 B4R0.3 O=[As]([O-])(O)O DY822392 [1,1,0,0,0,0|2,0,0]=4 329 B4R0.3 O=[As]([O-])(O)O DY822398 [1,1,0,0,0,0|2,0,0]=4 330 B4R0.3 O=[As]([O-])([O-])O DY822395 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.1 C=CC(=O)NCO DY580281 [0,2,0,0,0,0|0,0,2]=4 332 B6R0.1 C=CC(O)CCN DY787899 [0,2,0,0,0,0|1,0,1]=4 333 B6R0.1 CCCC(=O)NN NO22544 [0,2,0,0,0,0|1,0,0]=3 334 B6R0.1 CCCC(O)CO NO20495 [0,2,0,0,0,0|0,0,2]=4 335 B6R0.1 CCNC(=O)CN DY461322 [0,2,0,0,0,0|1,0,0]=3 336 B6R0.1 CCOC(=O)CC DY460554 [0,2,0,0,0,0|0,0,0]=2 337 B6R0.1 CCOC(=O)CN DY700831 [0,2,0,0,0,0|1,0,0]=3 338 B6R0.1 CCOC(=O)CN NO15347 [0,2,0,0,0,0|1,0,0]=3 339 B6R0.1 CCOC(=O)CO NO11386 [0,2,0,0,0,0|0,0,0]=2 340 B6R0.1 CCOC(=O)NN NO11383 [0,2,0,0,0,0|1,0,0]=3 341 B6R0.1 CNC(=O)CC#N NO18404 [0,2,0,0,0,0|1,0,1]=4 342 B6R0.1 COC(=N)CCCl DY799605 [0,2,0,0,0,0|1,0,0]=3 343 B6R0.1 COC(=O)CC=O DY740485 [0,2,0,0,0,0|0,0,1]=3 344 B6R0.1 COC(=O)CCCl DY741043 [0,2,0,0,0,0|0,0,0]=2 345 B6R0.1 COC(=O)CCN NO22266 [0,2,0,0,0,0|0,0,0]=2 346 B6R0.1 COC(=O)CSC DY460536 [0,2,0,0,0,0|0,0,0]=2 347 B6R0.1 COCC(=O)NN NO11580 [0,2,0,0,0,0|1,0,0]=3 348 B6R0.1 NCCC(O)CO DY608108 [0,2,0,0,0,0|0,0,2]=4 349 B6R0.1 N\C(CCO)=N/O DY607623 [0,2,0,0,0,0|1,0,0]=3 350 B6R0.1 O=C(CCl)NCO NO14580 [0,2,0,0,0,0|1,0,0]=3 351 B6R0.1 OC(CBr)CCBr DY740743 [0,2,0,0,0,0|1,0,1]=4 352 B6R0.2 CC(=O)NC(C)C DY461094 [0,2,0,0,0,0|1,0,0]=3 353 B6R0.2 CC(C)=CC(=O)O NO14947 [0,2,0,0,0,0|0,0,1]=3 354 B6R0.2 CC(C)=CC(N)=O DY795567 [0,2,0,0,0,0|1,0,1]=4 355 B6R0.2 CC(C)CB(O)O NO22276 [0,2,0,0,0,0|1,0,1]=4 356 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,2,0,0,0,0|0,0,1]=3 357 B6R0.2 CC(O)CN(C)C DY741373 [0,2,0,0,0,0|1,0,1]=4 358 B6R0.2 CN(C)CC(=O)O NO13413 [0,2,0,0,0,0|0,0,0]=2 359 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,2,0,0,0,0|0,0,0]=2 360 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,2,0,0,0,0|0,0,1]=3 361 B6R0.2 C[C@@H](O)CN(C)C DY585675 [0,2,0,0,0,0|1,0,1]=4 362 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,2,0,0,0,0|0,0,0]=2 363 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,2,0,0,0,0|0,0,0]=2 364 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,2,0,0,0,0|0,0,1]=3 365 B6R0.3 C=C(C#N)C(=O)O DY741055 [0,2,0,0,0,0|0,0,2]=4 366 B6R0.3 C=CC(=O)N(C)C DY545499 [0,2,0,0,0,0|2,0,0]=4 367 B6R0.3 C=CC(C)C(=O)O DY559155 [0,2,0,0,0,0|0,0,0]=2 368 B6R0.3 C=CC(O)C(=O)O DY586439 [0,2,0,0,0,0|0,0,1]=3 369 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [0,2,0,0,0,0|0,0,1]=3 370 B6R0.3 CC(=O)C(C)C=O DY459582 [0,2,0,0,0,0|1,0,0]=3 371 B6R0.3 CC(C)C(=O)CCl DY740659 [0,2,0,0,0,0|1,0,0]=3 372 B6R0.3 CC(C)[C@@H](N)CO NO22659 [0,2,0,0,0,0|1,0,1]=4 373 B6R0.3 CC(C)[C@H](N)CO NO17224 [0,2,0,0,0,0|1,0,1]=4 374 B6R0.3 CC(C)\C(N)=N\O DY574395 [0,2,0,0,0,0|1,0,0]=3 375 B6R0.3 CC(O)C(=O)O[Ag] DY527883 [0,2,0,0,0,0|0,0,0]=2 376 B6R0.3 CCC(=O)C(=O)O NO21626 [0,2,0,0,0,0|0,0,0]=2 377 B6R0.3 CCC(N)C(=O)O NO14084 [0,2,0,0,0,0|0,0,0]=2 378 B6R0.3 CCC(O)C(=O)O DY562593 [0,2,0,0,0,0|0,0,0]=2 379 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,2,0,0,0,0|0,0,1]=3 380 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,2,0,0,0,0|0,0,0]=2 381 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,2,0,0,0,0|1,0,0]=3 382 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,2,0,0,0,0|0,0,0]=2 383 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,2,0,0,0,0|0,0,0]=2 384 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,2,0,0,0,0|1,0,0]=3 385 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,2,0,0,0,0|1,0,0]=3 386 B6R0.3 CN(C)C(=O)CBr NO14025 [0,2,0,0,0,0|2,0,0]=4 387 B6R0.3 CN(C)C(=O)CCl DY545469 [0,2,0,0,0,0|2,0,0]=4 388 B6R0.3 CN(C)C(=O)CN NO21306 [0,2,0,0,0,0|2,0,0]=4 389 B6R0.3 CNC(=O)[C@@H](C)N DY608176 [0,2,0,0,0,0|1,0,0]=3 390 B6R0.3 CNC(=O)[C@H](C)N DY436151 [0,2,0,0,0,0|1,0,0]=3 391 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,2,0,0,0,0|0,0,0]=2 392 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,2,0,0,0,0|1,0,0]=3 393 B6R0.3 COC(=O)C(C)Br NO14958 [0,2,0,0,0,0|0,0,0]=2 394 B6R0.3 COC(=O)C(C)C DY41931 [0,2,0,0,0,0|0,0,0]=2 395 B6R0.3 COC(=O)C(C)N NO22242 [0,2,0,0,0,0|0,0,0]=2 396 B6R0.3 COC(=O)[C@@H](C)N NO16663 [0,2,0,0,0,0|0,0,0]=2 397 B6R0.3 COC(=O)[C@H](C)Cl NO15798 [0,2,0,0,0,0|0,0,0]=2 398 B6R0.3 COC(=O)[C@H](C)N DY500966 [0,2,0,0,0,0|0,0,0]=2 399 B6R0.3 COC(C)C(=O)O NO14024 [0,2,0,0,0,0|0,0,0]=2 400 B6R0.3 CON(C)C(C)=O NO11789 [0,2,0,0,0,0|2,0,0]=4 401 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,2,0,0,0,0|0,0,0]=2 402 B6R0.3 NC(=O)C(N)CO DY544785 [0,2,0,0,0,0|1,0,0]=3 403 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [0,2,0,0,0,0|1,0,0]=3 404 B6R0.3 NC(=O)[C@H](N)CO DY504027 [0,2,0,0,0,0|1,0,0]=3 405 B6R0.3 NC(CO)C(=O)O NO18949 [0,2,0,0,0,0|0,0,0]=2 406 B6R0.3 NC(CS)C(=O)O NO19655 [0,2,0,0,0,0|0,0,0]=2 407 B6R0.3 NCC(N)C(=O)O DY702709 [0,2,0,0,0,0|0,0,0]=2 408 B6R0.3 NCC(N)C(=O)O DY703093 [0,2,0,0,0,0|0,0,0]=2 409 B6R0.3 NCC(N)C(=O)O NO19624 [0,2,0,0,0,0|0,0,0]=2 410 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,2,0,0,0,0|0,0,0]=2 411 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [0,2,0,0,0,0|0,0,0]=2 412 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,2,0,0,0,0|0,0,0]=2 413 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [0,2,0,0,0,0|0,0,0]=2 414 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,2,0,0,0,0|0,0,0]=2 415 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,2,0,0,0,0|0,0,0]=2 416 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,2,0,0,0,0|0,0,0]=2 417 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,2,0,0,0,0|0,0,0]=2 418 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [0,2,0,0,0,0|1,0,0]=3 419 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,2,0,0,0,0|0,0,0]=2 420 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,2,0,0,0,0|0,0,0]=2 421 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,2,0,0,0,0|0,0,0]=2 422 B6R0.3 O=C(O)C(Br)CBr NO15215 [0,2,0,0,0,0|0,0,0]=2 423 B6R0.3 O=C(O)C(Br)CF DY741307 [0,2,0,0,0,0|0,0,0]=2 424 B6R0.3 O=C(O)C(O)CCl DY10790 [0,2,0,0,0,0|0,0,0]=2 425 B6R0.3 O=C(O)[C@H](O)CS DY740539 [0,2,0,0,0,0|0,0,0]=2 426 B6R0.4 C#CCCC(=O)O DY428029 [0,2,0,0,0,0|0,0,0]=2 427 B6R0.4 C=CCCC(=O)O NO15216 [0,2,0,0,0,0|0,0,0]=2 428 B6R0.4 C=C\C=C\C(=O)O NO12033 [0,2,0,0,0,0|0,0,2]=4 429 B6R0.4 CC(=O)CCCBr NO10305 [0,2,0,0,0,0|1,0,0]=3 430 B6R0.4 CC(=O)CCCCl NO10334 [0,2,0,0,0,0|1,0,0]=3 431 B6R0.4 CC(=O)NCCCl DY33011 [0,2,0,0,0,0|1,0,0]=3 432 B6R0.4 CCCCC(C)O DY740779 [0,2,0,0,0,0|1,0,1]=4 433 B6R0.4 CC\C=C\C(C)=O DY822743 [0,2,0,0,0,0|1,0,0]=3 434 B6R0.4 COCCC(=N)N DY569565 [0,2,0,0,0,0|2,0,0]=4 435 B6R0.4 CSCCC(C)=O DY740809 [0,2,0,0,0,0|1,0,0]=3 436 B6R0.4 N#CCCC(=O)O NO22262 [0,2,0,0,0,0|0,0,0]=2 437 B6R0.4 NCCCC(=O)O NO14998 [0,2,0,0,0,0|0,0,0]=2 438 B6R0.4 NCCNC(=O)O DY822495 [0,2,0,0,0,0|0,0,0]=2 439 B6R0.4 NC\C=C\C(=O)O DY552195 [0,2,0,0,0,0|0,0,1]=3 440 B6R0.4 O=C(O)CCCBr NO14053 [0,2,0,0,0,0|0,0,0]=2 441 B6R0.5 CC(C)(O)CCBr NO15788 [0,2,0,0,0,0|1,0,1]=4 442 B6R0.5 CCCS(=O)(=O)Cl DY20992 [0,2,0,0,0,0|1,0,1]=4 443 B6R0.5 CCCS(=O)(=O)[O-] DY32074 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.5 NCCS(N)(=O)=O DY798819 [0,2,0,0,0,0|1,0,1]=4 445 B6R0.5 O=S(=O)(Cl)CCCl DY822174 [0,2,0,0,0,0|1,0,1]=4 446 B6R0.5 O=S(=O)(O)CCO DY504969 [0,2,0,0,0,0|1,0,0]=3 447 B6R0.9 C=CC(CC)CO DY822489 [0,2,0,0,0,0|1,0,1]=4 448 B6R0.9 CCC(CN)OC DY610294 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.9 COC(C=O)OC DY822359 [0,2,0,0,0,0|1,0,1]=4 450 B6R0.7 CC(=O)C(C)(C)Cl DY741007 [0,2,0,0,0,0|1,0,0]=3 451 B6R0.7 CC(C)(Br)C(=O)O NO21332 [0,2,0,0,0,0|0,0,0]=2 452 B6R0.7 CC(C)(C)C(=O)O NO11866 [0,2,0,0,0,0|0,0,0]=2 453 B6R0.7 CC(C)(C)C(=O)[O-] DY504753 [0,2,0,0,0,0|0,0,1]=3 454 B6R0.7 CC(C)(C)[S@@](N)=O NO22549 [0,2,0,0,0,0|2,0,0]=4 455 B6R0.7 CC(C)(C)[S@](N)=O NO13893 [0,2,0,0,0,0|2,0,0]=4 456 B6R0.7 CC(C)(N)C(=O)O NO15358 [0,2,0,0,0,0|0,0,0]=2 457 B6R0.7 CC(C)(N)C(N)=O DY609020 [0,2,0,0,0,0|1,0,0]=3 458 B6R0.7 CC(C)(O)C(N)=S DY740299 [0,2,0,0,0,0|1,1,0]=4 459 B6R0.7 CC(C)S(=O)(=O)[O-] DY547479 [0,2,0,0,0,0|1,0,1]=4 460 B6R0.7 CC(C)S(C)(=O)=O DY740869 [0,2,0,0,0,0|1,0,1]=4 461 B6R0.7 CC(C)S(N)(=O)=O NO15962 [0,2,0,0,0,0|1,0,1]=4 462 B6R0.7 NC(=O)C(F)(F)F NO20935 [0,2,0,0,0,0|2,0,0]=4 463 B6R0.7 O=C(Cl)C(Cl)(Cl)Cl DY40501 [0,2,0,0,0,0|2,0,0]=4 464 B6R0.7 O=C(O)C(Br)(Br)Br DY822346 [0,2,0,0,0,0|1,0,0]=3 465 B6R0.7 O=C(O)C(Cl)(Cl)Cl DY565503 [0,2,0,0,0,0|1,0,0]=3 466 B6R0.7 O=C(O)C(F)(F)F DY684994 [0,2,0,0,0,0|1,0,0]=3 467 B6R0.7 O=C([O-])C(F)(F)F DY541353 [0,2,0,0,0,0|1,0,1]=4 468 B6R0.7 O=C([O-])C(F)(F)F DY551343 [0,2,0,0,0,0|1,0,1]=4 469 B6R0.7 [2H]C(C)(N)C(=O)O DY454695 [0,2,0,0,0,0|0,0,0]=2 470 B4R1.1 C1CNC1 NO14211 [1,0,0,1,0,0|1,0,1]=4 471 B4R1.2 BrC1CC1 NO19063 [1,0,0,1,0,0|1,0,1]=4 472 B6R1.2 C=C1CCSC1 DY523665 [0,1,0,1,0,0|1,1,0]=4 473 B6R1.2 CC1=NCCC1 NO21664 [0,1,0,1,0,0|2,0,0]=4 474 B6R1.2 CC1CCCO1 DY20580 [0,1,0,1,0,0|1,0,1]=4 475 B6R1.2 N=C1CCCS1 DY556065 [0,1,0,1,0,0|1,1,0]=4 476 B6R1.2 NC1=NCCC1 NO19310 [0,1,0,1,0,0|2,0,0]=4 477 B6R1.2 NC1CCOC1 NO12010 [0,1,0,1,0,0|1,0,1]=4 478 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,1,0,1,0,0|1,0,1]=4 479 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,1,0,1,0,0|1,0,1]=4 480 B6R1.2 N[C@H]1CCOC1 DY626689 [0,1,0,1,0,0|1,0,1]=4 481 B6R1.2 N[C@H]1CCOC1 NO20366 [0,1,0,1,0,0|1,0,1]=4 482 B6R1.2 O=C1CC=NN1 NO20496 [0,1,0,1,0,0|1,0,1]=4 483 B6R1.2 O=C1CCCC1 DY21085 [0,1,0,1,0,0|1,0,0]=3 484 B6R1.2 O=C1CCNC1 NO22412 [0,1,0,1,0,0|1,0,0]=3 485 B6R1.2 O=C1CCOC1 NO18178 [0,1,0,1,0,0|0,0,0]=2 486 B6R1.2 O=C1CCSC1 DY20305 [0,1,0,1,0,0|0,1,0]=3 487 B6R1.2 O=C1N=CCO1 DY565077 [0,1,0,1,0,0|0,0,1]=3 488 B6R1.2 O=C1NCCN1 NO21607 [0,1,0,1,0,0|1,0,0]=3 489 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,1,0,1,0,0|1,0,1]=4 490 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,1,0,1,0,0|1,0,1]=4 491 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,1,0,1,0,0|0,0,2]=4 492 B6R1.2 O[C@H]1CCNC1 NO21757 [0,1,0,1,0,0|1,0,1]=4 493 B6R1.2 S=C1NCCN1 DY582963 [0,1,0,1,0,0|1,1,0]=4 494 B6R1.2 S=C1NCCO1 DY561801 [0,1,0,1,0,0|0,1,0]=3 495 B6R1.2 SC1CCOC1 DY789441 [0,1,0,1,0,0|0,1,1]=4 496 B6R1.5 C=C1CC(=O)O1 DY732691 [0,1,0,1,0,0|0,0,1]=3 497 B6R1.5 CC1CC(O)C1 DY539301 [0,1,0,1,0,0|1,0,1]=4 498 B6R1.5 CN1CC(=O)C1 DY533589 [0,1,0,1,0,0|1,0,0]=3 499 B6R1.5 NC1CC(=O)C1 DY444232 [0,1,0,1,0,0|1,0,0]=3 500 B6R1.5 NC1CC(=O)C1 DY756175 [0,1,0,1,0,0|1,0,0]=3 501 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [0,1,0,1,0,0|1,0,1]=4 502 B6R1.10 CC1(O)CNC1 NO15502 [0,1,0,1,0,0|1,0,1]=4 503 B6R1.11 CC(C)C1CO1 DY791517 [0,1,0,1,0,0|1,0,1]=4 504 B6R1.11 CC(O)C1CC1 DY757429 [0,1,0,1,0,0|1,0,1]=4 505 B6R1.11 N=C(N)C1CC1 DY559371 [0,1,0,1,0,0|2,0,0]=4 506 B6R1.11 N=C(N)C1CC1 NO16535 [0,1,0,1,0,0|2,0,0]=4 507 B6R1.11 NC(=O)C1CC1 NO16456 [0,1,0,1,0,0|1,0,0]=3 508 B6R1.11 NC(=S)C1CC1 DY21067 [0,1,0,1,0,0|1,1,0]=4 509 B6R1.11 O=C(O)C1CC1 NO13839 [0,1,0,1,0,0|0,0,0]=2 510 B6R1.11 O=C([O-])C1CO1 NO17514 [0,1,0,1,0,0|0,0,1]=3 511 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [0,1,0,1,0,0|0,0,1]=3 512 B6R1.11 O=S(O)C1CC1 DY586549 [0,1,0,1,0,0|1,0,0]=3 513 B6R1.11 OB(O)C1CC1 DY20194 [0,1,0,1,0,0|1,0,1]=4 514 B6R1.4 CC1OCC1N DY732961 [0,1,0,1,0,0|1,0,1]=4 515 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [0,1,0,1,0,0|1,0,1]=4 516 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [0,1,0,1,0,0|0,0,2]=4 517 B6R1.4 NN1CCC1=O DY585858 [0,1,0,1,0,0|1,0,0]=3 518 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [0,1,0,1,0,0|0,0,2]=4 519 B6R1.6 OCC1CCO1 NO15009 [0,1,0,1,0,0|0,0,2]=4 520 B6R1.6 OC[C@@H]1CCN1 NO15230 [0,1,0,1,0,0|1,0,1]=4 521 B6R1.7 NC1(CO)CC1 NO13349 [0,1,0,1,0,0|1,0,1]=4 522 B6R1.7 NCC1(O)CC1 NO20441 [0,1,0,1,0,0|1,0,1]=4