0 B3R0.2 BrB(Br)Br MC428374 [0,0,0,0,0,0|4,0,0]=4 1 B3R0.2 C=C(C)Br MC440274 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.2 CC(=O)Cl MC40433 [0,0,0,0,0,0|1,0,0]=1 3 B3R0.2 CC(=O)O CS19761 [0,0,0,0,0,0|0,0,0]=0 4 B3R0.2 CC(=O)[O-] CS11168 [0,0,0,0,0,0|0,0,1]=1 5 B3R0.2 CC(=O)[O-] CS11832 [0,0,0,0,0,0|0,0,1]=1 6 B3R0.2 CC(=O)[O-] MC41921 [0,0,0,0,0,0|0,0,1]=1 7 B3R0.2 CC(C)Br MC41864 [0,0,0,0,0,0|2,0,1]=3 8 B3R0.2 CC(N)=O MC40849 [0,0,0,0,0,0|1,0,0]=1 9 B3R0.2 CC(O)=S MC434055 [0,0,0,0,0,0|0,1,0]=1 10 B3R0.2 CS(=O)[O-] MC434050 [0,0,0,0,0,0|1,0,1]=2 11 B3R0.2 C[N+](=O)[O-] MC41935 [0,0,0,0,0,0|1,0,1]=2 12 B3R0.2 C[PH](C)=O MC21075 [0,0,0,0,0,0|2,0,0]=2 13 B3R0.2 Cl[Ru](Cl)Cl CS11937 [0,0,0,0,0,0|4,0,0]=4 14 B3R0.2 Cl[Ru](Cl)Cl CS11938 [0,0,0,0,0,0|4,0,0]=4 15 B3R0.2 N=C(N)N CS19174 [0,0,0,0,0,0|3,0,0]=3 16 B3R0.2 NC(N)=S CS12023 [0,0,0,0,0,0|2,1,0]=3 17 B3R0.2 O=C([O-])[O-] CS11119 [0,0,0,0,0,0|1,0,1]=2 18 B3R0.2 O=S([O-])O MC445110 [0,0,0,0,0,0|2,0,0]=2 19 B3R0.2 O=S([O-])O MC445111 [0,0,0,0,0,0|2,0,0]=2 20 B3R0.2 O=[N+]([O-])[O-] MC115181 [0,0,0,0,0,0|2,0,1]=3 21 B3R0.2 O=[PH](O)O MC34534 [0,0,0,0,0,0|2,0,0]=2 22 B3R0.2 O=[Sn]([O-])[O-] MC21161 [0,0,0,0,0,0|2,0,1]=3 23 B2R0.1 Br[PbH2]Br MC440712 [1,0,0,0,0,0|3,0,0]=4 24 B2R0.1 CC#N CS13723 [1,0,0,0,0,0|1,0,1]=3 25 B2R0.1 CC[O-] MC10763 [1,0,0,0,0,0|0,0,2]=3 26 B2R0.1 CNC CS11262 [1,0,0,0,0,0|2,0,0]=3 27 B2R0.1 CNC MC20856 [1,0,0,0,0,0|2,0,0]=3 28 B2R0.1 CNC MC41898 [1,0,0,0,0,0|2,0,0]=3 29 B2R0.1 CNO CS21748 [1,0,0,0,0,0|1,0,0]=2 30 B2R0.1 CON CS19173 [1,0,0,0,0,0|2,0,0]=3 31 B2R0.1 C[Mg]Br MC10193 [1,0,0,0,0,0|2,0,0]=3 32 B2R0.1 C[Zn]Br MC116062 [1,0,0,0,0,0|2,0,0]=3 33 B2R0.1 Cl[PbH2]Cl MC440711 [1,0,0,0,0,0|3,0,0]=4 34 B2R0.1 I[PbH2]I MC440710 [1,0,0,0,0,0|3,0,0]=4 35 B2R0.1 N#CBr MC428011 [1,0,0,0,0,0|2,0,1]=4 36 B2R0.1 N#CN MC41880 [1,0,0,0,0,0|2,0,1]=4 37 B2R0.1 N#C[O-] MC41936 [1,0,0,0,0,0|1,0,2]=4 38 B2R0.1 O=[PH2][O-] MC20648 [1,0,0,0,0,0|1,0,1]=3 39 B2R0.1 O=[Pt]=O CS10895 [1,0,0,0,0,0|1,0,1]=3 40 B2R0.1 OBO MC440284 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 C#CC(=O)O MC428031 [0,1,0,0,0,0|0,0,1]=2 42 B4R0.1 C#CC(C)O MC427719 [0,1,0,0,0,0|1,0,1]=3 43 B4R0.1 C=CC(N)=O MC41857 [0,1,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(=O)CBr MC20986 [0,1,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(=O)CN CS10921 [0,1,0,0,0,0|1,0,0]=2 46 B4R0.1 CC(=O)CO CS11467 [0,1,0,0,0,0|0,0,0]=1 47 B4R0.1 CC(=O)NN CS10881 [0,1,0,0,0,0|1,0,0]=2 48 B4R0.1 CC(=O)NO CS14961 [0,1,0,0,0,0|0,0,0]=1 49 B4R0.1 CC(C)=NO CS10884 [0,1,0,0,0,0|1,0,0]=2 50 B4R0.1 CC(C)C#N MC41920 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 CC(C)NN CS11525 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 CC(C)ON CS13668 [0,1,0,0,0,0|1,0,1]=3 53 B4R0.1 CC(C)[Zn]Br MC121350 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 CC(Cl)CO CS20251 [0,1,0,0,0,0|1,0,1]=3 55 B4R0.1 CC(Cl)CO MC428270 [0,1,0,0,0,0|1,0,1]=3 56 B4R0.1 CC(N)CN CS20323 [0,1,0,0,0,0|2,0,1]=4 57 B4R0.1 CC(N)CN MC10147 [0,1,0,0,0,0|2,0,1]=4 58 B4R0.1 CC(N)CO CS14182 [0,1,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(N)CO CS19476 [0,1,0,0,0,0|1,0,1]=3 60 B4R0.1 CC(N)CO CS21310 [0,1,0,0,0,0|1,0,1]=3 61 B4R0.1 CC(O)CCl MC20696 [0,1,0,0,0,0|1,0,1]=3 62 B4R0.1 CC(O)CCl MC20697 [0,1,0,0,0,0|1,0,1]=3 63 B4R0.1 CC(O)CN CS14075 [0,1,0,0,0,0|1,0,1]=3 64 B4R0.1 CC(O)CO MC20330 [0,1,0,0,0,0|0,0,2]=3 65 B4R0.1 CCB(O)O CS13979 [0,1,0,0,0,0|1,0,1]=3 66 B4R0.1 CCC(C)O MC10786 [0,1,0,0,0,0|1,0,1]=3 67 B4R0.1 CCC(N)=O CS11886 [0,1,0,0,0,0|1,0,0]=2 68 B4R0.1 CNC(N)=O MC10792 [0,1,0,0,0,0|1,0,0]=2 69 B4R0.1 CNC(N)=S CS11797 [0,1,0,0,0,0|1,1,0]=3 70 B4R0.1 COC(N)=O CS11667 [0,1,0,0,0,0|1,0,0]=2 71 B4R0.1 COC(N)=[NH2+] CS11820 [0,1,0,0,0,0|2,0,0]=3 72 B4R0.1 CSC(=N)N MC41956 [0,1,0,0,0,0|2,0,0]=3 73 B4R0.1 C\C(N)=N\O CS10879 [0,1,0,0,0,0|1,0,0]=2 74 B4R0.1 C\C=C(/C)Br MC10255 [0,1,0,0,0,0|2,0,0]=3 75 B4R0.1 FC(F)CBr MC429454 [0,1,0,0,0,0|2,0,1]=4 76 B4R0.1 FC(F)CI MC429447 [0,1,0,0,0,0|2,0,1]=4 77 B4R0.1 NC(=O)CBr CS21389 [0,1,0,0,0,0|1,0,0]=2 78 B4R0.1 NCC(=O)O CS19951 [0,1,0,0,0,0|0,0,0]=1 79 B4R0.1 NCC(=O)[O-] CS10910 [0,1,0,0,0,0|0,0,1]=2 80 B4R0.1 NCC(=O)[O-] MC20522 [0,1,0,0,0,0|0,0,1]=2 81 B4R0.1 NCC(F)F MC429451 [0,1,0,0,0,0|2,0,1]=4 82 B4R0.1 NCC(N)=O CS13806 [0,1,0,0,0,0|1,0,0]=2 83 B4R0.1 NCC(N)=O MC437712 [0,1,0,0,0,0|1,0,0]=2 84 B4R0.1 NCS(=O)[O-] MC105927 [0,1,0,0,0,0|1,0,1]=3 85 B4R0.1 NNC(N)=O CS11949 [0,1,0,0,0,0|2,0,0]=3 86 B4R0.1 O=C(Cl)CBr MC21000 [0,1,0,0,0,0|1,0,0]=2 87 B4R0.1 O=C(O)CCl MC41871 [0,1,0,0,0,0|0,0,0]=1 88 B4R0.1 O=C(O)CO CS19334 [0,1,0,0,0,0|0,0,0]=1 89 B4R0.1 O=C([O-])CCl MC41872 [0,1,0,0,0,0|0,0,1]=2 90 B4R0.1 O=S([O-])CO CS11936 [0,1,0,0,0,0|1,0,1]=3 91 B4R0.1 OCC(F)F CS20974 [0,1,0,0,0,0|2,0,1]=4 92 B4R0.1 ON=C(Br)Br CS18455 [0,1,0,0,0,0|2,0,0]=3 93 B4R0.3 CC(C)(C)Br MC41863 [0,1,0,0,0,0|2,0,1]=4 94 B4R0.3 CC(C)(C)Cl MC41875 [0,1,0,0,0,0|2,0,1]=4 95 B4R0.3 CC(C)(C)[O-] MC10621 [0,1,0,0,0,0|1,0,2]=4 96 B4R0.3 CC(C)(C)[O-] MC21066 [0,1,0,0,0,0|1,0,2]=4 97 B4R0.3 CP(=O)(Cl)Cl MC444881 [0,1,0,0,0,0|2,0,0]=3 98 B4R0.3 CS(=O)(=O)O MC40426 [0,1,0,0,0,0|1,0,0]=2 99 B4R0.3 CS(=O)(=O)O MC40428 [0,1,0,0,0,0|1,0,0]=2 100 B4R0.3 CS(N)(=O)=O CS19901 [0,1,0,0,0,0|1,0,1]=3 101 B4R0.3 C[N+](C)(C)C CS12014 [0,1,0,0,0,0|3,0,0]=4 102 B4R0.3 C[N+](C)(C)C CS12015 [0,1,0,0,0,0|3,0,0]=4 103 B4R0.3 C[Pt](C)(C)I MC445016 [0,1,0,0,0,0|3,0,0]=4 104 B4R0.3 C[S+](C)(C)=O CS12054 [0,1,0,0,0,0|2,0,0]=3 105 B4R0.3 C[Si](C)(C)Br MC21154 [0,1,0,0,0,0|2,1,0]=4 106 B4R0.3 C[Si](C)(C)Cl MC41877 [0,1,0,0,0,0|2,1,0]=4 107 B4R0.3 NS(N)(=O)=O CS15922 [0,1,0,0,0,0|2,0,1]=4 108 B4R0.3 O=I(=O)(=O)O MC20542 [0,1,0,0,0,0|2,0,0]=3 109 B4R0.3 O=I(=O)(=O)[O-] MC428382 [0,1,0,0,0,0|2,0,1]=4 110 B4R0.3 O=S(=O)(O)O CS11689 [0,1,0,0,0,0|2,0,0]=3 111 B4R0.3 O=S(=O)(O)O MC40998 [0,1,0,0,0,0|2,0,0]=3 112 B4R1.2 BrC1CC1 CS19063 [0,0,0,1,0,0|2,0,1]=4 113 B4R1.2 CC1=CC1 MC20873 [0,0,0,1,0,0|2,0,0]=3 114 B4R1.2 CC1CO1 MC428272 [0,0,0,1,0,0|1,0,1]=3 115 B4R1.2 OC1CC1 MC443565 [0,0,0,1,0,0|1,0,1]=3 116 B1R0.1 C=C MC445001 [2,0,0,0,0,0|0,0,1]=3 117 B1R0.1 CN MC21064 [2,0,0,0,0,0|1,0,0]=3 118 B1R0.1 CS MC20391 [2,0,0,0,0,0|0,1,0]=3 119 B1R0.1 C[NH3+] MC440708 [2,0,0,0,0,0|1,0,0]=3 120 B1R0.1 C[NH3+] MC440709 [2,0,0,0,0,0|1,0,0]=3 121 B1R0.1 NN CS11464 [2,0,0,0,0,0|2,0,0]=4 122 B1R0.1 NN MC40999 [2,0,0,0,0,0|2,0,0]=4 123 B1R0.1 NN MC426078 [2,0,0,0,0,0|2,0,0]=4 124 B3R0.1 BrCCBr MC41884 [1,1,0,0,0,0|1,0,1]=4 125 B3R0.1 C=CCBr MC41858 [1,1,0,0,0,0|1,0,0]=3 126 B3R0.1 C=C[Mg]Br MC10627 [1,1,0,0,0,0|1,0,1]=4 127 B3R0.1 CCC#N MC41959 [1,1,0,0,0,0|1,0,1]=4 128 B3R0.1 CCON CS11314 [1,1,0,0,0,0|0,0,1]=3 129 B3R0.1 CC[Zn]Br MC116063 [1,1,0,0,0,0|1,0,1]=4 130 B3R0.1 CNOC CS13986 [1,1,0,0,0,0|1,0,0]=3 131 B3R0.1 COCCl MC41874 [1,1,0,0,0,0|1,0,1]=4 132 B3R0.1 C\C=C\C MC428373 [1,1,0,0,0,0|1,0,0]=3 133 B3R0.1 Cl\C=C\Cl MC41969 [1,1,0,0,0,0|1,0,1]=4 134 B3R0.1 FCCBr MC429448 [1,1,0,0,0,0|1,0,1]=4 135 B3R0.1 N#CCCl MC41870 [1,1,0,0,0,0|1,0,1]=4 136 B3R0.1 N#CCN CS19759 [1,1,0,0,0,0|1,0,1]=4 137 B3R0.1 NCCBr CS14044 [1,1,0,0,0,0|1,0,1]=4 138 B3R0.1 NCCCl CS16188 [1,1,0,0,0,0|1,0,1]=4 139 B3R0.1 NCCF CS21564 [1,1,0,0,0,0|1,0,1]=4 140 B3R0.1 SCCS MC20652 [1,1,0,0,0,0|0,1,1]=4 141 B5R0.1 C=C(C)CCBr CS14513 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.1 C=C(Cl)C[Zn]Cl MC116066 [0,2,0,0,0,0|2,0,0]=4 143 B5R0.1 C=C(Cl)C[Zn]Cl MC116067 [0,2,0,0,0,0|2,0,0]=4 144 B5R0.1 CC#CC(=O)O MC20776 [0,2,0,0,0,0|0,0,0]=2 145 B5R0.1 CC(=O)\C=N\O CS11520 [0,2,0,0,0,0|0,0,0]=2 146 B5R0.1 CC(=O)\C=N\O CS18968 [0,2,0,0,0,0|0,0,0]=2 147 B5R0.1 CC(C)=CCBr MC41900 [0,2,0,0,0,0|2,0,0]=4 148 B5R0.1 CC(C)CC=O CS11530 [0,2,0,0,0,0|1,0,1]=4 149 B5R0.1 CC(N)CCO CS14355 [0,2,0,0,0,0|1,0,1]=4 150 B5R0.1 CC(N)CCO CS14356 [0,2,0,0,0,0|1,0,1]=4 151 B5R0.1 CC(N)CCO CS22096 [0,2,0,0,0,0|1,0,1]=4 152 B5R0.1 CC(O)CON CS17735 [0,2,0,0,0,0|0,0,2]=4 153 B5R0.1 CCCB(O)O CS14802 [0,2,0,0,0,0|1,0,1]=4 154 B5R0.1 CCCC(C)=O CS21731 [0,2,0,0,0,0|1,0,0]=3 155 B5R0.1 CCC[N+](=O)[O-] MC428297 [0,2,0,0,0,0|1,0,1]=4 156 B5R0.1 CCOC(=N)N CS11818 [0,2,0,0,0,0|2,0,0]=4 157 B5R0.1 CN(C)CC=O CS17734 [0,2,0,0,0,0|2,0,0]=4 158 B5R0.1 CN(C)CCO CS11733 [0,2,0,0,0,0|2,0,0]=4 159 B5R0.1 CNCC(=O)O CS18595 [0,2,0,0,0,0|0,0,0]=2 160 B5R0.1 CNCC(N)=O MC438151 [0,2,0,0,0,0|1,0,0]=3 161 B5R0.1 COCC(=O)Cl MC40491 [0,2,0,0,0,0|1,0,0]=3 162 B5R0.1 COCC(=O)O CS11579 [0,2,0,0,0,0|0,0,0]=2 163 B5R0.1 COCC(C)N CS15401 [0,2,0,0,0,0|1,0,1]=4 164 B5R0.1 COCC(C)O CS20249 [0,2,0,0,0,0|0,0,2]=4 165 B5R0.1 COCC(C)O CS20309 [0,2,0,0,0,0|0,0,2]=4 166 B5R0.1 COCC(C)O CS20741 [0,2,0,0,0,0|0,0,2]=4 167 B5R0.1 COCC(N)=O MC41924 [0,2,0,0,0,0|1,0,0]=3 168 B5R0.1 COCC(N)=S MC102255 [0,2,0,0,0,0|1,1,0]=4 169 B5R0.1 CSCC(=O)Cl MC106201 [0,2,0,0,0,0|1,0,0]=3 170 B5R0.1 CSCC(N)=O CS12608 [0,2,0,0,0,0|1,0,0]=3 171 B5R0.1 C\C=C\B(O)O MC116392 [0,2,0,0,0,0|1,0,1]=4 172 B5R0.1 C\C=C\C(=O)O MC41882 [0,2,0,0,0,0|0,0,0]=2 173 B5R0.1 N#CCC(=O)O MC41881 [0,2,0,0,0,0|0,0,0]=2 174 B5R0.1 N#CCC(N)=O CS18594 [0,2,0,0,0,0|1,0,0]=3 175 B5R0.1 N#CCC(N)=S MC428323 [0,2,0,0,0,0|1,1,0]=4 176 B5R0.1 NCCC(=O)O CS13499 [0,2,0,0,0,0|0,0,0]=2 177 B5R0.1 NCCC(N)=O MC436150 [0,2,0,0,0,0|1,0,0]=3 178 B5R0.1 O=C(O)CCO MC20638 [0,2,0,0,0,0|0,0,0]=2 179 B5R0.3 C=C(CO)CO CS21689 [0,2,0,0,0,0|1,0,0]=3 180 B5R0.3 CCC(N)CO CS15119 [0,2,0,0,0,0|1,0,1]=4 181 B5R0.3 CCC(N)CO MC10528 [0,2,0,0,0,0|1,0,1]=4 182 B5R0.3 CCC(N)CO MC20718 [0,2,0,0,0,0|1,0,1]=4 183 B5R0.3 CCC(N)CO MC436159 [0,2,0,0,0,0|1,0,1]=4 184 B5R0.3 CCC(O)CO CS15622 [0,2,0,0,0,0|0,0,2]=4 185 B5R0.3 CNC(=O)CCl MC21094 [0,2,0,0,0,0|1,0,0]=3 186 B5R0.3 CNC(=O)CN MC437710 [0,2,0,0,0,0|1,0,0]=3 187 B5R0.3 COC(=O)CN CS15045 [0,2,0,0,0,0|0,0,0]=2 188 B5R0.3 COC(=O)CO CS19433 [0,2,0,0,0,0|0,0,0]=2 189 B5R0.3 COC(=O)CS MC20578 [0,2,0,0,0,0|0,0,0]=2 190 B5R0.3 COC(=O)NN MC20825 [0,2,0,0,0,0|1,0,0]=3 191 B5R0.3 COC(C)CN CS17733 [0,2,0,0,0,0|1,0,1]=4 192 B5R0.3 COC(C)CO CS12306 [0,2,0,0,0,0|0,0,2]=4 193 B5R0.3 NC(CO)CO CS18352 [0,2,0,0,0,0|1,0,1]=4 194 B5R0.3 NCC(O)CCl MC427329 [0,2,0,0,0,0|1,0,1]=4 195 B5R0.3 NCC(O)CN CS14232 [0,2,0,0,0,0|1,0,1]=4 196 B5R0.3 NCC(O)CO CS14832 [0,2,0,0,0,0|0,0,2]=4 197 B5R0.3 NCC(O)CO CS18397 [0,2,0,0,0,0|0,0,2]=4 198 B5R0.3 NCC(O)CO MC20311 [0,2,0,0,0,0|0,0,2]=4 199 B5R0.3 O=C(CO)CO CS11245 [0,2,0,0,0,0|0,0,0]=2 200 B5R0.3 O=CC(=O)CO MC427604 [0,2,0,0,0,0|0,0,1]=3 201 B5R0.3 O=CC(O)CO MC107096 [0,2,0,0,0,0|0,0,1]=3 202 B5R0.3 O=CC(O)CO MC20361 [0,2,0,0,0,0|0,0,1]=3 203 B5R0.3 O=CC(O)CO MC20362 [0,2,0,0,0,0|0,0,1]=3 204 B5R0.3 OC(CCl)CCl MC428012 [0,2,0,0,0,0|1,0,1]=4 205 B5R0.3 OC(CF)CF MC429449 [0,2,0,0,0,0|1,0,1]=4 206 B5R0.3 OCC(O)CCl CS15061 [0,2,0,0,0,0|0,0,2]=4 207 B5R0.3 OCC(O)CCl MC20314 [0,2,0,0,0,0|0,0,2]=4 208 B5R0.4 CC(C)(C)C=O MC20070 [0,2,0,0,0,0|1,0,1]=4 209 B5R0.4 CC(C)(C)ON CS11824 [0,2,0,0,0,0|1,0,1]=4 210 B5R0.4 CC(C)(F)CO MC429446 [0,2,0,0,0,0|1,0,1]=4 211 B5R0.4 CC(C)(O)CN CS20593 [0,2,0,0,0,0|1,0,1]=4 212 B5R0.4 CC(F)(F)CO MC429356 [0,2,0,0,0,0|1,0,1]=4 213 B5R0.4 CCS(=O)(=O)Cl MC32069 [0,2,0,0,0,0|1,0,1]=4 214 B5R0.4 CCS(=O)(=O)F MC32070 [0,2,0,0,0,0|1,0,1]=4 215 B5R0.4 CCS(=O)(=O)O MC32071 [0,2,0,0,0,0|1,0,0]=3 216 B5R0.4 CCS(=O)(=O)[O-] MC32072 [0,2,0,0,0,0|1,0,1]=4 217 B5R0.4 CCS(N)(=O)=O CS11311 [0,2,0,0,0,0|1,0,1]=4 218 B5R0.4 CNS(C)(=O)=O CS17859 [0,2,0,0,0,0|1,0,1]=4 219 B5R0.4 CNS(N)(=O)=O MC33445 [0,2,0,0,0,0|1,0,1]=4 220 B5R0.4 COS(C)(=O)=O MC445529 [0,2,0,0,0,0|1,0,0]=3 221 B5R0.4 CS(=O)(=O)NN MC106833 [0,2,0,0,0,0|1,0,1]=4 222 B5R0.4 O=S(=O)([O-])O[O-] MC428310 [0,2,0,0,0,0|2,0,0]=4 223 B5R0.5 CC(=O)C(=O)O MC41939 [0,2,0,0,0,0|0,0,0]=2 224 B5R0.5 CC(Br)C(=O)O MC20444 [0,2,0,0,0,0|0,0,0]=2 225 B5R0.5 CC(C)C(=O)Cl MC40490 [0,2,0,0,0,0|1,0,0]=3 226 B5R0.5 CC(C)C(N)=O CS21696 [0,2,0,0,0,0|1,0,0]=3 227 B5R0.5 CC(Cl)C(=O)O MC20315 [0,2,0,0,0,0|0,0,0]=2 228 B5R0.5 CC(Cl)C(=O)O MC436860 [0,2,0,0,0,0|0,0,0]=2 229 B5R0.5 CC(F)C(=O)O MC429445 [0,2,0,0,0,0|0,0,0]=2 230 B5R0.5 CC(N)B(O)O MC442650 [0,2,0,0,0,0|1,0,1]=4 231 B5R0.5 CC(N)B(O)O MC442679 [0,2,0,0,0,0|1,0,1]=4 232 B5R0.5 CC(N)B(O)O MC442687 [0,2,0,0,0,0|1,0,1]=4 233 B5R0.5 CC(N)C(=O)O CS18992 [0,2,0,0,0,0|0,0,0]=2 234 B5R0.5 CC(N)C(=O)O CS19143 [0,2,0,0,0,0|0,0,0]=2 235 B5R0.5 CC(N)C(=O)O MC428047 [0,2,0,0,0,0|0,0,0]=2 236 B5R0.5 CC(N)C(N)=O CS15732 [0,2,0,0,0,0|1,0,0]=3 237 B5R0.5 CC(N)C(N)=O CS22529 [0,2,0,0,0,0|1,0,0]=3 238 B5R0.5 CC(N)C(N)=O MC436152 [0,2,0,0,0,0|1,0,0]=3 239 B5R0.5 CC(N)C(N)=O MC436153 [0,2,0,0,0,0|1,0,0]=3 240 B5R0.5 CC(O)C(=O)O MC437817 [0,2,0,0,0,0|0,0,0]=2 241 B5R0.5 CN(C)C(=O)Cl MC428263 [0,2,0,0,0,0|1,0,0]=3 242 B5R0.5 CN(C)C(N)=S MC427479 [0,2,0,0,0,0|1,1,0]=4 243 B5R0.5 NC(=O)C(N)=O MC20822 [0,2,0,0,0,0|1,0,1]=4 244 B5R0.5 O=C(O)C(=O)O CS11387 [0,2,0,0,0,0|0,0,1]=3 245 B5R0.5 O=C(O)C(=O)O MC425345 [0,2,0,0,0,0|0,0,1]=3 246 B5R0.5 O=C(O)C(F)F MC20641 [0,2,0,0,0,0|0,0,0]=2 247 B5R0.5 O=C([O-])C(=O)[O-] MC114602 [0,2,0,0,0,0|0,0,2]=4 248 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [0,2,0,0,0,0|0,0,1]=3 249 B5R1.2 BrC1COC1 MC425330 [0,1,0,1,0,0|1,0,1]=4 250 B5R1.2 FC1COC1 MC113065 [0,1,0,1,0,0|1,0,1]=4 251 B5R1.2 IC1COC1 MC10503 [0,1,0,1,0,0|1,0,1]=4 252 B5R1.2 NC1COC1 CS22388 [0,1,0,1,0,0|1,0,1]=4 253 B5R1.2 NC1COC1 MC425332 [0,1,0,1,0,0|1,0,1]=4 254 B5R1.2 O=C1CCC1 MC10479 [0,1,0,1,0,0|1,0,0]=3 255 B5R1.2 O=C1CCN1 MC31231 [0,1,0,1,0,0|1,0,0]=3 256 B5R1.2 O=C1CNC1 MC444241 [0,1,0,1,0,0|1,0,0]=3 257 B5R1.2 O=C1COC1 CS22391 [0,1,0,1,0,0|0,0,0]=2 258 B5R1.2 O=C1CSC1 CS13345 [0,1,0,1,0,0|0,1,0]=3 259 B5R1.2 OC1CCC1 CS11176 [0,1,0,1,0,0|1,0,1]=4 260 B5R1.2 OC1CNC1 CS14687 [0,1,0,1,0,0|1,0,1]=4 261 B5R1.2 OC1COC1 CS19329 [0,1,0,1,0,0|0,0,2]=4 262 B5R1.2 SC1COC1 MC101966 [0,1,0,1,0,0|0,1,1]=4 263 B5R1.3 C=CC1CO1 MC428261 [0,1,0,1,0,0|1,0,1]=4 264 B5R1.3 CCC1CO1 MC20699 [0,1,0,1,0,0|1,0,1]=4 265 B5R1.3 CCC1CO1 MC428314 [0,1,0,1,0,0|1,0,1]=4 266 B5R1.3 ClCC1CO1 MC20322 [0,1,0,1,0,0|1,0,1]=4 267 B5R1.3 ClCC1CO1 MC41680 [0,1,0,1,0,0|1,0,1]=4 268 B5R1.3 ICC1CO1 MC102795 [0,1,0,1,0,0|1,0,1]=4 269 B5R1.3 O=CC1CC1 MC428327 [0,1,0,1,0,0|1,0,1]=4 270 B5R1.3 OCC1CC1 CS19620 [0,1,0,1,0,0|1,0,1]=4 271 B5R1.5 CC1(C)CO1 MC41673 [0,1,0,1,0,0|1,0,1]=4