0 B5R0.3 C=C(CO)CO CS21689 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.3 CCC(N)CO CS15119 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CCC(N)CO MC10528 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CCC(N)CO MC20718 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CCC(N)CO MC436159 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CCC(O)CO CS15622 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.3 CNC(=O)CCl MC21094 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CNC(=O)CN MC437710 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.3 COC(=O)CN CS15045 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.3 COC(=O)CO CS19433 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.3 COC(=O)CS MC20578 [0,0,0,0,0,0|2,1,0]=3 11 B5R0.3 COC(=O)NN MC20825 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.3 COC(C)CO CS12306 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 NC(CO)CO CS18352 [0,0,0,0,0,0|1,0,1]=2 14 B5R0.3 NCC(O)CCl MC427329 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 NCC(O)CN CS14232 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 NCC(O)CO CS14832 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.3 NCC(O)CO CS18397 [0,0,0,0,0,0|1,0,2]=3 18 B5R0.3 NCC(O)CO MC20311 [0,0,0,0,0,0|1,0,2]=3 19 B5R0.3 O=C(CO)CO CS11245 [0,0,0,0,0,0|0,0,0]=0 20 B5R0.3 O=CC(=O)CO MC427604 [0,0,0,0,0,0|0,0,2]=2 21 B5R0.3 O=CC(O)CO MC107096 [0,0,0,0,0,0|0,0,4]=4 22 B5R0.3 O=CC(O)CO MC20361 [0,0,0,0,0,0|0,0,4]=4 23 B5R0.3 O=CC(O)CO MC20362 [0,0,0,0,0,0|0,0,4]=4 24 B5R0.3 OC(CCl)CCl MC428012 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.3 OC(CF)CF MC429449 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 OCC(O)CCl CS15061 [0,0,0,0,0,0|1,0,2]=3 27 B5R0.3 OCC(O)CCl MC20314 [0,0,0,0,0,0|1,0,2]=3 28 B4R0.1 C#CC(=O)O MC428031 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 C=CC(N)=O MC41857 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(=O)CBr MC20986 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 CC(=O)CN CS10921 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 CC(=O)CO CS11467 [1,0,0,0,0,0|0,0,0]=1 33 B4R0.1 CC(=O)NN CS10881 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(=O)NO CS14961 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 CC(C)=NO CS10884 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(Cl)CO CS20251 [1,0,0,0,0,0|1,0,1]=3 37 B4R0.1 CC(Cl)CO MC428270 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(N)CN CS20323 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 CC(N)CN MC10147 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 CC(N)CO CS14182 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 CC(N)CO CS19476 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(N)CO CS21310 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 CC(O)CCl MC20696 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.1 CC(O)CCl MC20697 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.1 CC(O)CN CS14075 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.1 CC(O)CO MC20330 [1,0,0,0,0,0|0,0,2]=3 47 B4R0.1 CCB(O)O CS13979 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CCC(C)O MC10786 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.1 CCC(N)=O CS11886 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 CNC(N)=O MC10792 [1,0,0,0,0,0|3,0,0]=4 51 B4R0.1 COC(N)=O CS11667 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 C\C(N)=N\O CS10879 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 C\C=C(/C)Br MC10255 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.1 NC(=O)CBr CS21389 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 NCC(=O)O CS19951 [1,0,0,0,0,0|1,0,0]=2 56 B4R0.1 NCC(=O)[O-] CS10910 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 NCC(=O)[O-] MC20522 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.1 NCC(N)=O CS13806 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 NCC(N)=O MC437712 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 NCS(=O)[O-] MC105927 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 NNC(N)=O CS11949 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 O=C(Cl)CBr MC21000 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 O=C(O)CCl MC41871 [1,0,0,0,0,0|1,0,0]=2 64 B4R0.1 O=C(O)CO CS19334 [1,0,0,0,0,0|0,0,0]=1 65 B4R0.1 O=C([O-])CCl MC41872 [1,0,0,0,0,0|1,0,1]=3 66 B4R0.1 O=S([O-])CO CS11936 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.1 OCC(F)F CS20974 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 ON=C(Br)Br CS18455 [1,0,0,0,0,0|3,0,0]=4 69 B4R0.2 CCCCO MC41869 [1,0,0,0,0,0|1,0,1]=3 70 B4R0.2 CCNCC CS11240 [1,0,0,0,0,0|3,0,0]=4 71 B4R0.2 CCOCC MC41960 [1,0,0,0,0,0|3,0,0]=4 72 B4R0.2 CC[Zn]CC MC10752 [1,0,0,0,0,0|3,0,0]=4 73 B4R0.2 CNCCO CS20910 [1,0,0,0,0,0|2,0,1]=4 74 B4R0.2 ClCCCBr MC41861 [1,0,0,0,0,0|2,0,1]=4 75 B4R0.2 NCCCBr CS22190 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 NCCCS MC428180 [1,0,0,0,0,0|1,1,1]=4 77 B4R0.2 [NH3+]CCCS MC428140 [1,0,0,0,0,0|1,1,1]=4 78 B6R0.1 C#CC(=O)OCC MC434052 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 CCCC(=O)NN CS22544 [0,1,0,0,0,0|3,0,0]=4 80 B6R0.1 CCCC(O)CO CS20495 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.1 CCNC(=O)NC MC428152 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.1 CCOC(=O)CBr MC41907 [0,1,0,0,0,0|2,0,0]=3 83 B6R0.1 CCOC(=O)CCl MC41910 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 CCOC(=O)CN CS15347 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 CCOC(=O)CO CS11386 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.1 CCOC(=O)NN CS11383 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.1 CNC(=O)CC#N CS18404 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.1 CNC(=O)CCN MC112263 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 CNCC(=O)OC MC438154 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 COC(=O)CC#N MC428339 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.1 COC(=O)CCBr CS18993 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.1 COC(=O)CCN CS22266 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.1 COCC(=O)NN CS11580 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.1 N#CCC(=O)NN MC425018 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.1 O=C(CCl)NCO CS14580 [0,1,0,0,0,0|1,0,0]=2 96 B6R0.1 OCCC(O)CO MC42234 [0,1,0,0,0,0|0,0,2]=3 97 B6R0.3 CC(C)C(C)CO MC113312 [0,1,0,0,0,0|2,0,1]=4 98 B6R0.3 CC(C)C(N)CO CS17224 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.3 CC(C)C(N)CO CS22659 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CC(O)C(N)CO MC438221 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 CCC(=O)C(=O)O CS21626 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.3 CN(C)C(=O)CBr CS14025 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.3 CN(C)C(=O)CN CS21306 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 CN(C)C(=O)CN MC116188 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 CN(C)C(=O)CN MC437713 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.3 CNC(=O)C(C)N MC436151 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 COC(=O)C(C)Br CS14958 [0,1,0,0,0,0|3,0,0]=4 108 B6R0.3 COC(=O)C(C)C MC41931 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.3 COC(=O)C(C)Cl CS15798 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 COC(=O)C(C)N CS14901 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 COC(=O)C(C)N CS16663 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 COC(=O)C(C)N CS22242 [0,1,0,0,0,0|3,0,0]=4 113 B6R0.3 COC(=O)C(C)O MC20343 [0,1,0,0,0,0|2,0,0]=3 114 B6R0.3 COC(=O)C(F)F MC32025 [0,1,0,0,0,0|3,0,0]=4 115 B6R0.3 NC(CO)C(=O)O CS14731 [0,1,0,0,0,0|1,0,2]=4 116 B6R0.3 NC(CO)C(=O)O CS18949 [0,1,0,0,0,0|1,0,2]=4 117 B6R0.3 NC(CO)C(=O)O CS19144 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.3 O=C([O-])C(=O)CBr MC34359 [0,1,0,0,0,0|1,0,2]=4 119 B6R0.3 OCC(F)=C(F)F MC106204 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.8 CC(C)(CN)CO CS22037 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.8 NCC(F)(F)CO MC444228 [0,1,0,0,0,0|2,0,1]=4 122 B6R1.2 BrC1CCOC1 CS14643 [0,0,0,1,0,0|2,0,1]=4 123 B6R1.2 IC1CCOC1 MC101926 [0,0,0,1,0,0|2,0,1]=4 124 B6R1.2 NC1CCOC1 CS12010 [0,0,0,1,0,0|2,0,1]=4 125 B6R1.2 NC1CCOC1 CS13003 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 NC1CCOC1 CS20366 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 NC1CCOC1 MC443324 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 NC1CCOC1 MC444237 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 O=C1C=CON1 MC442265 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 O=C1CC=NN1 CS20496 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 O=C1CCCC1 MC21085 [0,0,0,1,0,0|2,0,0]=3 132 B6R1.2 O=C1CCNC1 CS22412 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.2 O=C1CCOC1 CS18178 [0,0,0,1,0,0|1,0,0]=2 134 B6R1.2 O=C1CCSC1 MC20305 [0,0,0,1,0,0|1,1,0]=3 135 B6R1.2 O=C1CNCN1 CS15654 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.2 OC1CCOC1 CS20284 [0,0,0,1,0,0|1,0,2]=4 137 B6R1.2 OC1CCOC1 MC42235 [0,0,0,1,0,0|1,0,2]=4 138 B6R1.2 OC1CCOC1 MC444279 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.4 CC1COC1=O MC121237 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.4 NC1CCC1O MC111877 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.6 ICC1COC1 MC101907 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.6 NCC1COC1 MC10517 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.6 OCC1CCN1 CS15230 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.6 OCC1CCN1 MC102029 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.6 OCC1CCN1 MC102030 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.6 OCC1CCO1 CS15009 [0,0,0,1,0,0|1,0,2]=4 147 B6R1.6 OCC1CNC1 CS12891 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.6 OCC1CNC1 MC444028 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.6 OCC1COC1 CS14670 [0,0,0,1,0,0|1,0,1]=3 150 B6R1.7 NC1(CO)CC1 CS13349 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.7 NC1(CO)CC1 MC113084 [0,0,0,1,0,0|2,0,1]=4 152 B6R1.8 OCC1CC1F MC102847 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.8 OCC1CC1F MC102848 [0,0,0,1,0,0|2,0,1]=4 154 B6R1.8 OCC1CC1F MC102849 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.8 OCC1CC1F MC102850 [0,0,0,1,0,0|2,0,1]=4 156 B3R0.1 BrCCBr MC41884 [2,0,0,0,0,0|2,0,0]=4 157 B3R0.1 C=CCBr MC41858 [2,0,0,0,0,0|1,0,1]=4 158 B3R0.1 COCCl MC41874 [2,0,0,0,0,0|2,0,0]=4 159 B3R0.1 C\C=C\C MC428373 [2,0,0,0,0,0|1,0,1]=4 160 B3R0.1 FCCBr MC429448 [2,0,0,0,0,0|2,0,0]=4 161 B3R0.1 NCCBr CS14044 [2,0,0,0,0,0|2,0,0]=4 162 B3R0.1 NCCCl CS16188 [2,0,0,0,0,0|2,0,0]=4 163 B3R0.1 NCCF CS21564 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 SCCS MC20652 [2,0,0,0,0,0|0,2,0]=4 165 B3R0.2 C=C(C)Br MC440274 [2,0,0,0,0,0|1,0,1]=4 166 B3R0.2 CC(=O)Cl MC40433 [2,0,0,0,0,0|1,0,0]=3 167 B3R0.2 CC(=O)O CS19761 [2,0,0,0,0,0|0,0,0]=2 168 B3R0.2 CC(=O)[O-] CS11168 [2,0,0,0,0,0|0,0,1]=3 169 B3R0.2 CC(=O)[O-] CS11832 [2,0,0,0,0,0|0,0,1]=3 170 B3R0.2 CC(=O)[O-] MC41921 [2,0,0,0,0,0|0,0,1]=3 171 B3R0.2 CC(C)Br MC41864 [2,0,0,0,0,0|1,0,1]=4 172 B3R0.2 CC(N)=O MC40849 [2,0,0,0,0,0|1,0,0]=3 173 B3R0.2 CC(O)=S MC434055 [2,0,0,0,0,0|0,1,0]=3 174 B3R0.2 CS(=O)[O-] MC434050 [2,0,0,0,0,0|1,0,1]=4 175 B3R0.2 C[N+](=O)[O-] MC41935 [2,0,0,0,0,0|1,0,1]=4 176 B3R0.2 C[PH](C)=O MC21075 [2,0,0,0,0,0|1,0,0]=3 177 B3R0.2 O=C([O-])[O-] CS11119 [2,0,0,0,0,0|0,0,2]=4 178 B3R0.2 O=S([O-])O MC445110 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.2 O=S([O-])O MC445111 [2,0,0,0,0,0|1,0,1]=4 180 B3R0.2 O=[PH](O)O MC34534 [2,0,0,0,0,0|1,0,0]=3 181 B5R0.1 C=C(C)CCBr CS14513 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.1 CC#CC(=O)O MC20776 [1,1,0,0,0,0|1,0,1]=4 183 B5R0.1 CC(=O)\C=N\O CS11520 [1,1,0,0,0,0|0,0,1]=3 184 B5R0.1 CC(=O)\C=N\O CS18968 [1,1,0,0,0,0|0,0,1]=3 185 B5R0.1 CC(C)=CCBr MC41900 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.1 CC(N)CCO CS14355 [1,1,0,0,0,0|1,0,1]=4 187 B5R0.1 CC(N)CCO CS14356 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.1 CC(N)CCO CS22096 [1,1,0,0,0,0|1,0,1]=4 189 B5R0.1 CC(O)CON CS17735 [1,1,0,0,0,0|0,0,2]=4 190 B5R0.1 CCCC(C)=O CS21731 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.1 CN(C)CCO CS11733 [1,1,0,0,0,0|2,0,0]=4 192 B5R0.1 CNCC(=O)O CS18595 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.1 CNCC(N)=O MC438151 [1,1,0,0,0,0|2,0,0]=4 194 B5R0.1 COCC(=O)Cl MC40491 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.1 COCC(=O)O CS11579 [1,1,0,0,0,0|0,0,0]=2 196 B5R0.1 COCC(C)N CS15401 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.1 COCC(C)O CS20249 [1,1,0,0,0,0|0,0,2]=4 198 B5R0.1 COCC(C)O CS20309 [1,1,0,0,0,0|0,0,2]=4 199 B5R0.1 COCC(C)O CS20741 [1,1,0,0,0,0|0,0,2]=4 200 B5R0.1 COCC(N)=O MC41924 [1,1,0,0,0,0|1,0,0]=3 201 B5R0.1 COCC(N)=S MC102255 [1,1,0,0,0,0|1,1,0]=4 202 B5R0.1 CSCC(=O)Cl MC106201 [1,1,0,0,0,0|1,1,0]=4 203 B5R0.1 CSCC(N)=O CS12608 [1,1,0,0,0,0|1,1,0]=4 204 B5R0.1 C\C=C\C(=O)O MC41882 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.1 N#CCC(=O)O MC41881 [1,1,0,0,0,0|1,0,0]=3 206 B5R0.1 N#CCC(N)=O CS18594 [1,1,0,0,0,0|2,0,0]=4 207 B5R0.1 NCCC(=O)O CS13499 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.1 NCCC(N)=O MC436150 [1,1,0,0,0,0|2,0,0]=4 209 B5R0.1 O=C(O)CCO MC20638 [1,1,0,0,0,0|0,0,0]=2 210 B5R0.4 CC(C)(F)CO MC429446 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.4 CC(F)(F)CO MC429356 [1,1,0,0,0,0|1,0,1]=4 212 B5R0.4 CCS(=O)(=O)O MC32071 [1,1,0,0,0,0|2,0,0]=4 213 B5R0.5 CC(=O)C(=O)O MC41939 [1,1,0,0,0,0|0,0,1]=3 214 B5R0.5 CC(Br)C(=O)O MC20444 [1,1,0,0,0,0|1,0,0]=3 215 B5R0.5 CC(C)C(=O)Cl MC40490 [1,1,0,0,0,0|2,0,0]=4 216 B5R0.5 CC(C)C(N)=O CS21696 [1,1,0,0,0,0|2,0,0]=4 217 B5R0.5 CC(Cl)C(=O)O MC20315 [1,1,0,0,0,0|1,0,0]=3 218 B5R0.5 CC(Cl)C(=O)O MC436860 [1,1,0,0,0,0|1,0,0]=3 219 B5R0.5 CC(F)C(=O)O MC429445 [1,1,0,0,0,0|1,0,0]=3 220 B5R0.5 CC(N)C(=O)O CS18992 [1,1,0,0,0,0|1,0,0]=3 221 B5R0.5 CC(N)C(=O)O CS19143 [1,1,0,0,0,0|1,0,0]=3 222 B5R0.5 CC(N)C(=O)O MC428047 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.5 CC(N)C(N)=O CS15732 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.5 CC(N)C(N)=O CS22529 [1,1,0,0,0,0|2,0,0]=4 225 B5R0.5 CC(N)C(N)=O MC436152 [1,1,0,0,0,0|2,0,0]=4 226 B5R0.5 CC(N)C(N)=O MC436153 [1,1,0,0,0,0|2,0,0]=4 227 B5R0.5 CC(O)C(=O)O MC437817 [1,1,0,0,0,0|0,0,0]=2 228 B5R0.5 O=C(O)C(=O)O CS11387 [1,1,0,0,0,0|0,0,1]=3 229 B5R0.5 O=C(O)C(=O)O MC425345 [1,1,0,0,0,0|0,0,1]=3 230 B5R0.5 O=C(O)C(F)F MC20641 [1,1,0,0,0,0|1,0,0]=3 231 B5R0.5 O=C([O-])C(Cl)Cl MC21032 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.2 C#C\C=C\CO MC428290 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.2 CNCCCO CS14200 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.2 COCCCBr CS20649 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.2 COCCCO CS20039 [1,1,0,0,0,0|0,0,1]=3 236 B5R0.2 ClC\C=C\CCl MC10276 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.2 ClC\C=C\CCl MC10277 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.2 OC\C=C\CCl MC10262 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.2 OC\C=C\CO MC41968 [1,1,0,0,0,0|0,0,0]=2 240 B5R0.2 OC\C=C\CO MC424009 [1,1,0,0,0,0|0,0,0]=2 241 B7R0.2 CC(C)OC(=O)CO CS11522 [0,2,0,0,0,0|1,0,0]=3 242 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.2 COC(=O)CC(=O)O CS13436 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.2 COC(=O)CC(C)O CS11584 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.3 C=CCOC(=O)CCl MC428296 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.3 COCCC(=O)NN MC111753 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.3 O=C(CCl)\N=C\NO MC107742 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.5 CCOC(=O)C(C)C CS11388 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.5 CCOC(=O)C(C)F MC439605 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.5 CCOC(=O)C(C)N CS15404 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.5 CCOC(=O)C(C)N MC436160 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.5 CCOC(=O)C(C)O CS20075 [0,2,0,0,0,0|1,0,0]=3 254 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.5 CCOC(=O)C(F)F CS11385 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.7 CCOC(=O)CC#N MC41911 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.7 CCOC(=O)CCN CS14330 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.7 CCOC(=O)CNC CS17068 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.7 CCOC(=O)CNN CS19987 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.7 CCOC(=O)COC CS11389 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.7 COCC(N)COC CS21215 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.7 O=C(CCCl)CCCl CS19912 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,2,0,0,0,0|1,0,1]=4 265 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,2,0,0,0,0|1,0,1]=4 266 B7R0.10 COC(=O)C(F)CO CS17081 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.10 COC(=O)C(N)CO CS16778 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.10 COC(=O)C(N)CO CS16785 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.10 COC(=O)C(N)CO CS22621 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.10 COC(=O)C(O)CO MC429048 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.10 CON(C)C(=O)CCl MC33020 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.10 NC(CCl)C(=O)NO MC436853 [0,2,0,0,0,0|2,0,0]=4 273 B7R0.14 CCC(=O)C(F)(F)F MC21145 [0,2,0,0,0,0|2,0,0]=4 274 B7R0.14 O=C(CBr)C(F)(F)F MC20644 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.16 O=C(O)C(=O)C(Br)Br CS18490 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.18 CCC(N)(CO)CO CS21221 [0,2,0,0,0,0|1,0,1]=4 277 B5R1.2 BrC1COC1 MC425330 [1,0,0,1,0,0|1,0,1]=4 278 B5R1.2 FC1COC1 MC113065 [1,0,0,1,0,0|1,0,1]=4 279 B5R1.2 IC1COC1 MC10503 [1,0,0,1,0,0|1,0,1]=4 280 B5R1.2 NC1COC1 CS22388 [1,0,0,1,0,0|1,0,1]=4 281 B5R1.2 NC1COC1 MC425332 [1,0,0,1,0,0|1,0,1]=4 282 B5R1.2 O=C1CCC1 MC10479 [1,0,0,1,0,0|1,0,0]=3 283 B5R1.2 O=C1CCN1 MC31231 [1,0,0,1,0,0|2,0,0]=4 284 B5R1.2 O=C1CNC1 MC444241 [1,0,0,1,0,0|1,0,0]=3 285 B5R1.2 O=C1COC1 CS22391 [1,0,0,1,0,0|0,0,0]=2 286 B5R1.2 O=C1CSC1 CS13345 [1,0,0,1,0,0|0,1,0]=3 287 B5R1.2 OC1COC1 CS19329 [1,0,0,1,0,0|0,0,2]=4 288 B5R1.2 SC1COC1 MC101966 [1,0,0,1,0,0|0,1,1]=4 289 B5R1.3 OCC1CC1 CS19620 [1,0,0,1,0,0|1,0,1]=4 290 B5R1.5 CC1(C)CO1 MC41673 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.1 OCC1=COC=C1 CS22303 [0,1,0,1,0,0|1,0,1]=4 292 B7R1.1 OCC1=CON=C1 MC104808 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.1 OCC1CCOC1 MC113000 [0,1,0,1,0,0|1,0,1]=4 294 B7R1.1 OCC1CCOC1 MC113001 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.1 OCC1CCOC1 MC427704 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,1,0,1,0,0|1,0,1]=4 297 B7R1.2 CN1CCC(=O)C1 CS20760 [0,1,0,1,0,0|2,0,0]=4 298 B7R1.2 O=C1CC(O)CN1 CS14706 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.2 O=C1CC(O)CN1 CS16472 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.2 O=C1CCC(I)C1 MC115016 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.3 O=C1C=CCOC1 CS17023 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.3 O=C1CCCCN1 MC429045 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.3 O=C1CCCCO1 CS11208 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.3 O=C1CCCNC1 CS14768 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.3 O=C1CCCNC1 CS17767 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.3 O=C1CCCOC1 MC31097 [0,1,0,1,0,0|1,0,0]=3 308 B7R1.3 O=C1CCNCC1 CS22790 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.3 O=C1CCOCC1 CS13380 [0,1,0,1,0,0|1,0,0]=3 310 B7R1.3 O=C1CCSCC1 CS18797 [0,1,0,1,0,0|1,1,0]=4 311 B7R1.3 O=C1CNCCN1 CS19142 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.3 O=C1CNCCO1 MC441004 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.3 O=C1COCCN1 CS11697 [0,1,0,1,0,0|1,0,0]=3 314 B7R1.3 O=C1COCCO1 MC20725 [0,1,0,1,0,0|1,0,0]=3 315 B7R1.4 CC1OCCC1=O CS14135 [0,1,0,1,0,0|1,0,0]=3 316 B7R1.4 NC1CCNC1=O MC107169 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.4 NC1CCNC1=O MC115917 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.4 NC1CCOC1=O CS18578 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.4 NC1CCOC1=O MC439296 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.4 NC1CCSC1=O MC428331 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.4 NC1COCC1O MC105386 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.4 NC1COCC1O MC105387 [0,1,0,1,0,0|1,0,1]=4 323 B7R1.4 NC1COCC1O MC431325 [0,1,0,1,0,0|1,0,1]=4 324 B7R1.4 NC1CONC1=O CS19264 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.4 NC1CONC1=O CS22528 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.4 NC1CONC1=O MC436879 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.4 O=C1CCC=C1O CS14654 [0,1,0,1,0,0|1,0,1]=4 328 B7R1.4 O=C1CCCC1Br MC445112 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.4 O=C1NCCC1O CS19486 [0,1,0,1,0,0|1,0,0]=3 330 B7R1.4 O=C1NCCC1O MC115910 [0,1,0,1,0,0|1,0,0]=3 331 B7R1.4 O=C1NCCC1O MC444274 [0,1,0,1,0,0|1,0,0]=3 332 B7R1.6 COC=C1COC1 MC113188 [0,1,0,1,0,0|1,0,1]=4 333 B7R1.8 O=C1CCC1CO MC104211 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.8 O=C1CCC1CO MC104212 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.8 O=C1CCC1CO MC104213 [0,1,0,1,0,0|1,0,0]=3 336 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,1,0,1,0,0|2,0,0]=4 337 B7R1.25 CC1(CO)CCO1 MC102954 [0,1,0,1,0,0|1,0,1]=4 338 B7R1.25 CC1(CO)COC1 CS16968 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.25 NC1(CO)COC1 MC102014 [0,1,0,1,0,0|1,0,1]=4 340 B7R1.25 OCC1(F)COC1 MC121269 [0,1,0,1,0,0|1,0,1]=4 341 B7R1.29 OCC1(CO)CC1 MC20742 [0,1,0,1,0,0|1,0,1]=4