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|3,0,0]=3 2 B3R0.2 CC(=O)Cl MC40433 [0,0,0,0,0,0|2,0,1]=3 3 B3R0.2 CC(=O)O CS19761 [0,0,0,0,0,0|2,0,0]=2 4 B3R0.2 CC(=O)[O-] CS11168 [0,0,0,0,0,0|2,0,1]=3 5 B3R0.2 CC(=O)[O-] CS11832 [0,0,0,0,0,0|2,0,1]=3 6 B3R0.2 CC(=O)[O-] MC41921 [0,0,0,0,0,0|2,0,1]=3 7 B3R0.2 CC(C)Br MC41864 [0,0,0,0,0,0|3,0,1]=4 8 B3R0.2 CC(N)=O MC40849 [0,0,0,0,0,0|1,0,1]=2 9 B3R0.2 CC(O)=S MC434055 [0,0,0,0,0,0|2,0,0]=2 10 B3R0.2 CS(=O)[O-] MC434050 [0,0,0,0,0,0|3,0,1]=4 11 B3R0.2 C[N+](=O)[O-] MC41935 [0,0,0,0,0,0|3,0,1]=4 12 B3R0.2 C[PH](C)=O MC21075 [0,0,0,0,0,0|3,0,1]=4 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|1,0,0]=1 16 B3R0.2 NC(N)=S CS12023 [0,0,0,0,0,0|0,1,1]=2 17 B3R0.2 O=C([O-])[O-] CS11119 [0,0,0,0,0,0|2,0,1]=3 18 B3R0.2 O=S([O-])O MC445110 [0,0,0,0,0,0|3,0,0]=3 19 B3R0.2 O=S([O-])O MC445111 [0,0,0,0,0,0|3,0,0]=3 20 B3R0.2 O=[N+]([O-])[O-] MC115181 [0,0,0,0,0,0|3,0,1]=4 21 B3R0.2 O=[PH](O)O MC34534 [0,0,0,0,0,0|3,0,0]=3 22 B3R0.2 O=[Sn]([O-])[O-] MC21161 [0,0,0,0,0,0|3,0,1]=4 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|1,0,2]=4 25 B2R0.1 CC[O-] MC10763 [1,0,0,0,0,0|1,0,2]=4 26 B2R0.1 CNC CS11262 [1,0,0,0,0,0|3,0,0]=4 27 B2R0.1 CNC MC20856 [1,0,0,0,0,0|3,0,0]=4 28 B2R0.1 CNC MC41898 [1,0,0,0,0,0|3,0,0]=4 29 B2R0.1 CNO CS21748 [1,0,0,0,0,0|2,0,0]=3 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|3,0,0]=4 32 B2R0.1 C[Zn]Br MC116062 [1,0,0,0,0,0|3,0,0]=4 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|1,0,2]=4 36 B2R0.1 N#CN MC41880 [1,0,0,0,0,0|0,0,2]=3 37 B2R0.1 N#C[O-] MC41936 [1,0,0,0,0,0|0,0,3]=4 38 B2R0.1 O=[PH2][O-] MC20648 [1,0,0,0,0,0|2,0,1]=4 39 B2R0.1 O=[Pt]=O CS10895 [1,0,0,0,0,0|2,0,1]=4 40 B2R0.1 OBO MC440284 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 C#CC(=O)O MC428031 [0,1,0,0,0,0|2,0,0]=3 42 B4R0.1 C#CC(C)O MC427719 [0,1,0,0,0,0|2,0,1]=4 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|2,0,1]=4 45 B4R0.1 CC(=O)CN CS10921 [0,1,0,0,0,0|1,0,1]=3 46 B4R0.1 CC(=O)CO CS11467 [0,1,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(=O)NN CS10881 [0,1,0,0,0,0|1,0,1]=3 48 B4R0.1 CC(=O)NO CS14961 [0,1,0,0,0,0|1,0,1]=3 49 B4R0.1 CC(C)=NO CS10884 [0,1,0,0,0,0|2,0,0]=3 50 B4R0.1 CC(C)NN CS11525 [0,1,0,0,0,0|2,0,1]=4 51 B4R0.1 CC(C)ON CS13668 [0,1,0,0,0,0|2,0,1]=4 52 B4R0.1 CC(Cl)CO CS20251 [0,1,0,0,0,0|2,0,1]=4 53 B4R0.1 CC(Cl)CO MC428270 [0,1,0,0,0,0|2,0,1]=4 54 B4R0.1 CC(N)CN CS20323 [0,1,0,0,0,0|1,0,2]=4 55 B4R0.1 CC(N)CN MC10147 [0,1,0,0,0,0|1,0,2]=4 56 B4R0.1 CC(N)CO CS14182 [0,1,0,0,0,0|1,0,1]=3 57 B4R0.1 CC(N)CO CS19476 [0,1,0,0,0,0|1,0,1]=3 58 B4R0.1 CC(N)CO CS21310 [0,1,0,0,0,0|1,0,1]=3 59 B4R0.1 CC(O)CCl MC20696 [0,1,0,0,0,0|2,0,1]=4 60 B4R0.1 CC(O)CCl MC20697 [0,1,0,0,0,0|2,0,1]=4 61 B4R0.1 CC(O)CN CS14075 [0,1,0,0,0,0|1,0,1]=3 62 B4R0.1 CC(O)CO MC20330 [0,1,0,0,0,0|2,0,1]=4 63 B4R0.1 CCB(O)O CS13979 [0,1,0,0,0,0|3,0,0]=4 64 B4R0.1 CCC(C)O MC10786 [0,1,0,0,0,0|2,0,1]=4 65 B4R0.1 CCC(N)=O CS11886 [0,1,0,0,0,0|1,0,1]=3 66 B4R0.1 CNC(N)=O MC10792 [0,1,0,0,0,0|0,0,2]=3 67 B4R0.1 CNC(N)=S CS11797 [0,1,0,0,0,0|0,1,1]=3 68 B4R0.1 COC(N)=O CS11667 [0,1,0,0,0,0|1,0,0]=2 69 B4R0.1 COC(N)=[NH2+] CS11820 [0,1,0,0,0,0|0,0,1]=2 70 B4R0.1 CSC(=N)N MC41956 [0,1,0,0,0,0|0,1,0]=2 71 B4R0.1 C\C(N)=N\O CS10879 [0,1,0,0,0,0|1,0,0]=2 72 B4R0.1 C\C=C(/C)Br MC10255 [0,1,0,0,0,0|3,0,0]=4 73 B4R0.1 NC(=O)CBr CS21389 [0,1,0,0,0,0|1,0,1]=3 74 B4R0.1 NCC(=O)O CS19951 [0,1,0,0,0,0|1,0,0]=2 75 B4R0.1 NCC(=O)[O-] CS10910 [0,1,0,0,0,0|1,0,1]=3 76 B4R0.1 NCC(=O)[O-] MC20522 [0,1,0,0,0,0|1,0,1]=3 77 B4R0.1 NCC(F)F MC429451 [0,1,0,0,0,0|2,0,1]=4 78 B4R0.1 NCC(N)=O CS13806 [0,1,0,0,0,0|0,0,2]=3 79 B4R0.1 NCC(N)=O MC437712 [0,1,0,0,0,0|0,0,2]=3 80 B4R0.1 NCS(=O)[O-] MC105927 [0,1,0,0,0,0|2,0,1]=4 81 B4R0.1 NNC(N)=O CS11949 [0,1,0,0,0,0|0,0,2]=3 82 B4R0.1 O=C(Cl)CBr MC21000 [0,1,0,0,0,0|2,0,1]=4 83 B4R0.1 O=C(O)CCl MC41871 [0,1,0,0,0,0|2,0,0]=3 84 B4R0.1 O=C(O)CO CS19334 [0,1,0,0,0,0|2,0,0]=3 85 B4R0.1 O=C([O-])CCl MC41872 [0,1,0,0,0,0|2,0,1]=4 86 B4R0.1 O=S([O-])CO CS11936 [0,1,0,0,0,0|3,0,0]=4 87 B4R0.1 OCC(F)F CS20974 [0,1,0,0,0,0|2,0,1]=4 88 B4R0.1 ON=C(Br)Br CS18455 [0,1,0,0,0,0|2,0,0]=3 89 B4R0.3 CS(=O)(=O)O MC40426 [0,1,0,0,0,0|3,0,0]=4 90 B4R0.3 CS(=O)(=O)O MC40428 [0,1,0,0,0,0|3,0,0]=4 91 B4R0.3 CS(N)(=O)=O CS19901 [0,1,0,0,0,0|2,0,1]=4 92 B4R0.3 NS(N)(=O)=O CS15922 [0,1,0,0,0,0|1,0,2]=4 93 B4R0.3 O=I(=O)(=O)O MC20542 [0,1,0,0,0,0|3,0,0]=4 94 B4R0.3 O=S(=O)(O)O CS11689 [0,1,0,0,0,0|3,0,0]=4 95 B4R0.3 O=S(=O)(O)O MC40998 [0,1,0,0,0,0|3,0,0]=4 96 B4R1.2 CC1=CC1 MC20873 [0,0,0,1,0,0|3,0,0]=4 97 B4R1.2 CC1CO1 MC428272 [0,0,0,1,0,0|2,0,1]=4 98 B4R1.2 OC1CC1 MC443565 [0,0,0,1,0,0|2,0,1]=4 99 B1R0.1 C=C MC445001 [2,0,0,0,0,0|1,0,0]=3 100 B1R0.1 CN MC21064 [2,0,0,0,0,0|0,0,1]=3 101 B1R0.1 CS MC20391 [2,0,0,0,0,0|0,1,1]=4 102 B1R0.1 C[NH3+] MC440708 [2,0,0,0,0,0|0,0,2]=4 103 B1R0.1 C[NH3+] MC440709 [2,0,0,0,0,0|0,0,2]=4 104 B1R0.1 NN CS11464 [2,0,0,0,0,0|0,0,1]=3 105 B1R0.1 NN MC40999 [2,0,0,0,0,0|0,0,1]=3 106 B1R0.1 NN MC426078 [2,0,0,0,0,0|0,0,1]=3 107 B3R0.1 C=CCBr MC41858 [1,1,0,0,0,0|2,0,0]=4 108 B3R0.1 C=C[Mg]Br MC10627 [1,1,0,0,0,0|2,0,0]=4 109 B3R0.1 CCON CS11314 [1,1,0,0,0,0|1,0,1]=4 110 B3R0.1 CNOC CS13986 [1,1,0,0,0,0|2,0,0]=4 111 B3R0.1 COCCl MC41874 [1,1,0,0,0,0|1,0,1]=4 112 B3R0.1 C\C=C\C MC428373 [1,1,0,0,0,0|2,0,0]=4 113 B3R0.1 Cl\C=C\Cl MC41969 [1,1,0,0,0,0|2,0,0]=4 114 B3R0.1 N#CCN CS19759 [1,1,0,0,0,0|0,0,2]=4 115 B3R0.1 NCCBr CS14044 [1,1,0,0,0,0|1,0,1]=4 116 B3R0.1 NCCCl CS16188 [1,1,0,0,0,0|1,0,1]=4 117 B3R0.1 NCCF CS21564 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.1 CC#CC(=O)O MC20776 [0,2,0,0,0,0|2,0,0]=4 119 B5R0.1 CC(=O)\C=N\O CS11520 [0,2,0,0,0,0|1,0,1]=4 120 B5R0.1 CC(=O)\C=N\O CS18968 [0,2,0,0,0,0|1,0,1]=4 121 B5R0.1 CC(N)CCO CS14355 [0,2,0,0,0,0|1,0,1]=4 122 B5R0.1 CC(N)CCO CS14356 [0,2,0,0,0,0|1,0,1]=4 123 B5R0.1 CC(N)CCO CS22096 [0,2,0,0,0,0|1,0,1]=4 124 B5R0.1 CC(O)CON CS17735 [0,2,0,0,0,0|1,0,1]=4 125 B5R0.1 CCOC(=N)N CS11818 [0,2,0,0,0,0|0,0,0]=2 126 B5R0.1 CNCC(=O)O CS18595 [0,2,0,0,0,0|1,0,0]=3 127 B5R0.1 CNCC(N)=O MC438151 [0,2,0,0,0,0|0,0,2]=4 128 B5R0.1 COCC(=O)Cl MC40491 [0,2,0,0,0,0|2,0,0]=4 129 B5R0.1 COCC(=O)O CS11579 [0,2,0,0,0,0|2,0,0]=4 130 B5R0.1 COCC(C)N CS15401 [0,2,0,0,0,0|1,0,1]=4 131 B5R0.1 COCC(N)=O MC41924 [0,2,0,0,0,0|1,0,0]=3 132 B5R0.1 COCC(N)=S MC102255 [0,2,0,0,0,0|1,0,0]=3 133 B5R0.1 CSCC(N)=O CS12608 [0,2,0,0,0,0|1,0,1]=4 134 B5R0.1 C\C=C\C(=O)O MC41882 [0,2,0,0,0,0|2,0,0]=4 135 B5R0.1 N#CCC(=O)O MC41881 [0,2,0,0,0,0|1,0,1]=4 136 B5R0.1 N#CCC(N)=O CS18594 [0,2,0,0,0,0|0,0,2]=4 137 B5R0.1 N#CCC(N)=S MC428323 [0,2,0,0,0,0|0,1,1]=4 138 B5R0.1 NCCC(=O)O CS13499 [0,2,0,0,0,0|1,0,0]=3 139 B5R0.1 NCCC(N)=O MC436150 [0,2,0,0,0,0|0,0,2]=4 140 B5R0.1 O=C(O)CCO MC20638 [0,2,0,0,0,0|2,0,0]=4 141 B5R0.3 C=C(CO)CO CS21689 [0,2,0,0,0,0|2,0,0]=4 142 B5R0.3 CCC(N)CO CS15119 [0,2,0,0,0,0|1,0,1]=4 143 B5R0.3 CCC(N)CO MC10528 [0,2,0,0,0,0|1,0,1]=4 144 B5R0.3 CCC(N)CO MC20718 [0,2,0,0,0,0|1,0,1]=4 145 B5R0.3 CCC(N)CO MC436159 [0,2,0,0,0,0|1,0,1]=4 146 B5R0.3 CNC(=O)CCl MC21094 [0,2,0,0,0,0|1,0,1]=4 147 B5R0.3 CNC(=O)CN MC437710 [0,2,0,0,0,0|0,0,2]=4 148 B5R0.3 COC(=O)CN CS15045 [0,2,0,0,0,0|1,0,0]=3 149 B5R0.3 COC(=O)CO CS19433 [0,2,0,0,0,0|2,0,0]=4 150 B5R0.3 COC(=O)CS MC20578 [0,2,0,0,0,0|2,0,0]=4 151 B5R0.3 COC(=O)NN MC20825 [0,2,0,0,0,0|1,0,0]=3 152 B5R0.3 COC(C)CN CS17733 [0,2,0,0,0,0|1,0,1]=4 153 B5R0.3 NC(CO)CO CS18352 [0,2,0,0,0,0|1,0,1]=4 154 B5R0.3 NCC(O)CCl MC427329 [0,2,0,0,0,0|1,0,1]=4 155 B5R0.3 NCC(O)CN CS14232 [0,2,0,0,0,0|0,0,2]=4 156 B5R0.3 NCC(O)CO CS14832 [0,2,0,0,0,0|1,0,1]=4 157 B5R0.3 NCC(O)CO CS18397 [0,2,0,0,0,0|1,0,1]=4 158 B5R0.3 NCC(O)CO MC20311 [0,2,0,0,0,0|1,0,1]=4 159 B5R0.3 O=C(CO)CO CS11245 [0,2,0,0,0,0|2,0,0]=4 160 B5R0.3 O=CC(=O)CO MC427604 [0,2,0,0,0,0|2,0,0]=4 161 B5R0.4 CC(C)(O)CN CS20593 [0,2,0,0,0,0|1,0,1]=4 162 B5R0.5 CC(=O)C(=O)O MC41939 [0,2,0,0,0,0|2,0,0]=4 163 B5R0.5 CC(Br)C(=O)O MC20444 [0,2,0,0,0,0|2,0,0]=4 164 B5R0.5 CC(C)C(N)=O CS21696 [0,2,0,0,0,0|1,0,1]=4 165 B5R0.5 CC(Cl)C(=O)O MC20315 [0,2,0,0,0,0|2,0,0]=4 166 B5R0.5 CC(Cl)C(=O)O MC436860 [0,2,0,0,0,0|2,0,0]=4 167 B5R0.5 CC(F)C(=O)O MC429445 [0,2,0,0,0,0|2,0,0]=4 168 B5R0.5 CC(N)B(O)O MC442650 [0,2,0,0,0,0|1,0,1]=4 169 B5R0.5 CC(N)B(O)O MC442679 [0,2,0,0,0,0|1,0,1]=4 170 B5R0.5 CC(N)B(O)O MC442687 [0,2,0,0,0,0|1,0,1]=4 171 B5R0.5 CC(N)C(=O)O CS18992 [0,2,0,0,0,0|1,0,0]=3 172 B5R0.5 CC(N)C(=O)O CS19143 [0,2,0,0,0,0|1,0,0]=3 173 B5R0.5 CC(N)C(=O)O MC428047 [0,2,0,0,0,0|1,0,0]=3 174 B5R0.5 CC(N)C(N)=O CS15732 [0,2,0,0,0,0|0,0,2]=4 175 B5R0.5 CC(N)C(N)=O CS22529 [0,2,0,0,0,0|0,0,2]=4 176 B5R0.5 CC(N)C(N)=O MC436152 [0,2,0,0,0,0|0,0,2]=4 177 B5R0.5 CC(N)C(N)=O MC436153 [0,2,0,0,0,0|0,0,2]=4 178 B5R0.5 CC(O)C(=O)O MC437817 [0,2,0,0,0,0|2,0,0]=4 179 B5R0.5 CN(C)C(=O)Cl MC428263 [0,2,0,0,0,0|1,0,1]=4 180 B5R0.5 CN(C)C(N)=S MC427479 [0,2,0,0,0,0|0,1,1]=4 181 B5R0.5 NC(=O)C(N)=O MC20822 [0,2,0,0,0,0|0,0,2]=4 182 B5R0.5 O=C(O)C(=O)O CS11387 [0,2,0,0,0,0|2,0,0]=4 183 B5R0.5 O=C(O)C(=O)O MC425345 [0,2,0,0,0,0|2,0,0]=4 184 B5R0.5 O=C(O)C(F)F MC20641 [0,2,0,0,0,0|2,0,0]=4 185 B5R1.2 NC1COC1 CS22388 [0,1,0,1,0,0|1,0,1]=4 186 B5R1.2 NC1COC1 MC425332 [0,1,0,1,0,0|1,0,1]=4 187 B5R1.2 O=C1CCN1 MC31231 [0,1,0,1,0,0|1,0,1]=4 188 B5R1.2 O=C1CNC1 MC444241 [0,1,0,1,0,0|1,0,1]=4 189 B5R1.2 O=C1COC1 CS22391 [0,1,0,1,0,0|2,0,0]=4 190 B5R1.2 OC1CNC1 CS14687 [0,1,0,1,0,0|1,0,1]=4