0 B4R0.2 BrCCCBr DY459264 [0,0,0,0,0,0|2,0,0]=2 1 B4R0.2 C#CCCI DY554547 [0,0,0,0,0,0|1,0,2]=3 2 B4R0.2 C#CCCO DY580491 [0,0,0,0,0,0|0,1,2]=3 3 B4R0.2 C#C\C=C\C DY822380 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.2 C=CCCN DY740341 [0,0,0,0,0,0|1,0,2]=3 5 B4R0.2 C=NCC#N DY822473 [0,0,0,0,0,0|2,0,2]=4 6 B4R0.2 CCCCBr DY460620 [0,0,0,0,0,0|1,0,0]=1 7 B4R0.2 CCNCC NO11240 [0,0,0,0,0,0|2,0,0]=2 8 B4R0.2 CNCC#N NO19888 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 CNCCBr DY584482 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.2 CNCCO NO20910 [0,0,0,0,0,0|1,1,0]=2 11 B4R0.2 COCC=O DY740317 [0,0,0,0,0,0|1,1,1]=3 12 B4R0.2 COCCBr DY578823 [0,0,0,0,0,0|2,0,0]=2 13 B4R0.2 COCCN DY822486 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.2 COCCO DY457570 [0,0,0,0,0,0|1,1,0]=2 15 B4R0.2 CSCSC DY528795 [0,0,0,0,0,0|3,0,0]=3 16 B4R0.2 FCCCF DY822298 [0,0,0,0,0,0|2,0,0]=2 17 B4R0.2 ICCCI DY564171 [0,0,0,0,0,0|2,0,0]=2 18 B4R0.2 N#CCCBr NO22188 [0,0,0,0,0,0|2,0,1]=3 19 B4R0.2 N#CCCN DY526113 [0,0,0,0,0,0|2,0,1]=3 20 B4R0.2 NCCCBr NO22190 [0,0,0,0,0,0|2,0,0]=2 21 B4R0.2 OCCCF DY822290 [0,0,0,0,0,0|1,1,0]=2 22 B4R0.2 SCCCS DY740347 [0,0,0,0,0,0|1,0,0]=1 23 B4R0.2 [Li]CCCC DY790335 [0,0,0,0,0,0|1,0,0]=1 24 B3R0.1 C=CCBr DY41858 [1,0,0,0,0,0|1,0,2]=4 25 B3R0.1 C=CCN DY500409 [1,0,0,0,0,0|1,0,2]=4 26 B3R0.1 CCNC DY822410 [1,0,0,0,0,0|1,0,0]=2 27 B3R0.1 CCNN DY563997 [1,0,0,0,0,0|2,0,0]=3 28 B3R0.1 CNC=O DY513177 [1,0,0,0,0,0|1,1,1]=4 29 B3R0.1 CNOC NO13986 [1,0,0,0,0,0|2,0,0]=3 30 B3R0.1 CSCCl DY584302 [1,0,0,0,0,0|2,0,0]=3 31 B3R0.1 NCCBr NO14044 [1,0,0,0,0,0|2,0,0]=3 32 B3R0.1 NCCCl NO16188 [1,0,0,0,0,0|2,0,0]=3 33 B3R0.1 NCCF NO21564 [1,0,0,0,0,0|2,0,0]=3 34 B3R0.1 NCCN DY521541 [1,0,0,0,0,0|2,0,0]=3 35 B3R0.1 NCCN DY561063 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 NCCN DY567273 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 NCCS DY460548 [1,0,0,0,0,0|1,0,0]=2 38 B3R0.1 OCCF DY822289 [1,0,0,0,0,0|1,1,0]=3 39 B3R0.1 SCCS DY20652 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 C=C(C)CCBr NO14513 [0,1,0,0,0,0|1,0,1]=3 41 B5R0.1 CC(C)=CCBr DY41900 [0,1,0,0,0,0|1,0,2]=4 42 B5R0.1 CC(C)=CCCl DY460578 [0,1,0,0,0,0|1,0,2]=4 43 B5R0.1 CC(C)CC=O NO11530 [0,1,0,0,0,0|0,1,1]=3 44 B5R0.1 CC(C)CCBr DY460632 [0,1,0,0,0,0|1,0,0]=2 45 B5R0.1 CC(N)CCO NO22096 [0,1,0,0,0,0|0,1,0]=2 46 B5R0.1 CC(O)CON NO17735 [0,1,0,0,0,0|2,0,0]=3 47 B5R0.1 CCCB(O)O NO14802 [0,1,0,0,0,0|1,1,0]=3 48 B5R0.1 CCCC(=O)[O-] DY822775 [0,1,0,0,0,0|0,1,1]=3 49 B5R0.1 CCCC(C)=O NO21731 [0,1,0,0,0,0|0,1,1]=3 50 B5R0.1 CCCC(C)O DY741013 [0,1,0,0,0,0|0,1,0]=2 51 B5R0.1 CCNC(C)=O DY564051 [0,1,0,0,0,0|1,1,1]=4 52 B5R0.1 CCOC(C)=N DY500026 [0,1,0,0,0,0|2,0,1]=4 53 B5R0.1 CCSC(=N)N DY505011 [0,1,0,0,0,0|2,0,1]=4 54 B5R0.1 CN(C)CC=O DY558327 [0,1,0,0,0,0|1,1,1]=4 55 B5R0.1 CN(C)CC=O NO17734 [0,1,0,0,0,0|1,1,1]=4 56 B5R0.1 CN(C)CCBr NO10949 [0,1,0,0,0,0|2,0,0]=3 57 B5R0.1 CN(C)CCCl NO14471 [0,1,0,0,0,0|2,0,0]=3 58 B5R0.1 CN(C)CCN NO18603 [0,1,0,0,0,0|2,0,0]=3 59 B5R0.1 CN(C)CCO NO11733 [0,1,0,0,0,0|1,1,0]=3 60 B5R0.1 CNCC(=O)O NO18595 [0,1,0,0,0,0|1,1,1]=4 61 B5R0.1 COCC(=N)N DY535605 [0,1,0,0,0,0|2,0,1]=4 62 B5R0.1 COCC(=O)O NO11579 [0,1,0,0,0,0|1,1,1]=4 63 B5R0.1 COCC(C)O NO20741 [0,1,0,0,0,0|1,1,0]=3 64 B5R0.1 COC[C@@H](C)O NO20249 [0,1,0,0,0,0|1,1,0]=3 65 B5R0.1 COC[C@H](C)N DY623421 [0,1,0,0,0,0|2,0,0]=3 66 B5R0.1 COC[C@H](C)O NO20309 [0,1,0,0,0,0|1,1,0]=3 67 B5R0.1 CSCC(=N)N DY504363 [0,1,0,0,0,0|2,0,1]=4 68 B5R0.1 CSCC(=O)O DY543879 [0,1,0,0,0,0|1,1,1]=4 69 B5R0.1 CSCC(N)=O NO12608 [0,1,0,0,0,0|1,1,1]=4 70 B5R0.1 C[C@@H](N)CCO NO14355 [0,1,0,0,0,0|0,1,0]=2 71 B5R0.1 C[C@H](N)CCO DY625189 [0,1,0,0,0,0|0,1,0]=2 72 B5R0.1 C[C@H](N)CCO NO14356 [0,1,0,0,0,0|0,1,0]=2 73 B5R0.1 C[C@H](O)CC#N DY625225 [0,1,0,0,0,0|1,0,1]=3 74 B5R0.1 C\C=C\[C@H](C)O DY791877 [0,1,0,0,0,0|0,1,2]=4 75 B5R0.1 FCCC(F)F DY793407 [0,1,0,0,0,0|2,0,0]=3 76 B5R0.1 NCCC(=O)O NO13499 [0,1,0,0,0,0|1,1,1]=4 77 B5R0.1 PCCC(Cl)Cl DY527415 [0,1,0,0,0,0|2,0,0]=3 78 B5R0.2 C=CCCCBr DY460284 [0,1,0,0,0,0|1,0,1]=3 79 B5R0.2 C=CCC[Zn]Br DY121337 [0,1,0,0,0,0|1,0,2]=4 80 B5R0.2 CCC#CCC DY740797 [0,1,0,0,0,0|1,0,1]=3 81 B5R0.2 CCCCCBr NO20657 [0,1,0,0,0,0|1,0,0]=2 82 B5R0.2 CCCC[Mg]Cl DY567561 [0,1,0,0,0,0|1,0,0]=2 83 B5R0.2 CCOCCBr NO21396 [0,1,0,0,0,0|1,0,0]=2 84 B5R0.2 CCO\C=C\Br DY456448 [0,1,0,0,0,0|1,0,2]=4 85 B5R0.2 CC\C=C\CO DY527871 [0,1,0,0,0,0|0,1,1]=3 86 B5R0.2 CNCCC#N NO22369 [0,1,0,0,0,0|1,0,1]=3 87 B5R0.2 CNCCCO NO14200 [0,1,0,0,0,0|0,1,0]=2 88 B5R0.2 CNCCNC NO15116 [0,1,0,0,0,0|2,0,0]=3 89 B5R0.2 COCCC#N NO22345 [0,1,0,0,0,0|1,0,1]=3 90 B5R0.2 COCCCBr NO20649 [0,1,0,0,0,0|1,0,0]=2 91 B5R0.2 COCCCO NO20039 [0,1,0,0,0,0|0,1,0]=2 92 B5R0.2 COCCOC DY546591 [0,1,0,0,0,0|1,1,0]=3 93 B5R0.2 CSCCCO DY557199 [0,1,0,0,0,0|0,1,0]=2 94 B5R0.2 C\C=C\CCO DY799773 [0,1,0,0,0,0|0,1,1]=3 95 B5R0.2 ClC\C=C\CCl DY10276 [0,1,0,0,0,0|1,0,2]=4 96 B5R0.2 ClC\C=C\CCl DY10277 [0,1,0,0,0,0|1,0,2]=4 97 B5R0.2 FCCCCF DY822299 [0,1,0,0,0,0|1,0,0]=2 98 B5R0.2 N#CCCCN DY548775 [0,1,0,0,0,0|1,0,1]=3 99 B5R0.2 NCCCCBr NO14979 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.2 NCCCCN NO19906 [0,1,0,0,0,0|1,0,0]=2 101 B5R0.2 OCCCCF DY822291 [0,1,0,0,0,0|0,1,0]=2 102 B5R0.2 OC\C=C\CCl DY10262 [0,1,0,0,0,0|0,1,2]=4 103 B5R0.3 C=C(CBr)CBr DY526857 [0,1,0,0,0,0|2,0,1]=4 104 B5R0.3 C=C(CO)CO NO21689 [0,1,0,0,0,0|1,1,1]=4 105 B5R0.3 C=CC(Cl)CCl DY740791 [0,1,0,0,0,0|1,0,2]=4 106 B5R0.3 C=CC(N)CO DY579231 [0,1,0,0,0,0|0,1,2]=4 107 B5R0.3 C=C[C@H](O)CO DY625759 [0,1,0,0,0,0|0,1,2]=4 108 B5R0.3 CCC(=O)OC DY460566 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.3 CCC(Br)C#N DY789951 [0,1,0,0,0,0|1,0,1]=3 110 B5R0.3 CCC(N)CO DY20718 [0,1,0,0,0,0|0,1,0]=2 111 B5R0.3 CCC(N)CO DY741331 [0,1,0,0,0,0|0,1,0]=2 112 B5R0.3 CCC(O)CN DY519471 [0,1,0,0,0,0|1,0,0]=2 113 B5R0.3 CCC(O)CO DY822703 [0,1,0,0,0,0|0,1,0]=2 114 B5R0.3 CCN(O)CC DY551655 [0,1,0,0,0,0|2,0,0]=3 115 B5R0.3 CC[C@@H](N)CO NO15119 [0,1,0,0,0,0|0,1,0]=2 116 B5R0.3 CC[C@H](C)C#N DY822231 [0,1,0,0,0,0|1,0,1]=3 117 B5R0.3 CC[C@H](N)CO DY10528 [0,1,0,0,0,0|0,1,0]=2 118 B5R0.3 CC[C@H](O)CO NO15622 [0,1,0,0,0,0|0,1,0]=2 119 B5R0.3 CNC(=O)CCl DY21094 [0,1,0,0,0,0|2,0,1]=4 120 B5R0.3 CNC(=O)CN DY437710 [0,1,0,0,0,0|2,0,1]=4 121 B5R0.3 CNC(=O)CN DY542271 [0,1,0,0,0,0|2,0,1]=4 122 B5R0.3 COC(=O)CF DY822286 [0,1,0,0,0,0|2,0,1]=4 123 B5R0.3 COC(=O)CN NO15045 [0,1,0,0,0,0|2,0,1]=4 124 B5R0.3 COC(=O)CO NO19433 [0,1,0,0,0,0|1,1,1]=4 125 B5R0.3 COC(=O)CS DY20578 [0,1,0,0,0,0|1,0,1]=3 126 B5R0.3 CO[C@H](C)CN DY622119 [0,1,0,0,0,0|2,0,0]=3 127 B5R0.3 CO[C@H](C)CN NO17733 [0,1,0,0,0,0|2,0,0]=3 128 B5R0.3 CO[C@H](C)CO NO12306 [0,1,0,0,0,0|1,1,0]=3 129 B5R0.3 NC(CO)CO NO18352 [0,1,0,0,0,0|1,1,0]=3 130 B5R0.3 NCC(O)CN NO14232 [0,1,0,0,0,0|2,0,0]=3 131 B5R0.3 NCC(O)CO NO18397 [0,1,0,0,0,0|1,1,0]=3 132 B5R0.3 NC[C@@H](O)CO NO14832 [0,1,0,0,0,0|1,1,0]=3 133 B5R0.3 NC[C@H](O)CCl DY427329 [0,1,0,0,0,0|2,0,0]=3 134 B5R0.3 NC[C@H](O)CO DY20311 [0,1,0,0,0,0|1,1,0]=3 135 B5R0.3 O=C(CBr)CBr DY572985 [0,1,0,0,0,0|2,0,1]=4 136 B5R0.3 O=C(CO)CO NO11245 [0,1,0,0,0,0|1,1,1]=4 137 B5R0.3 OC[C@@H](O)CCl NO15061 [0,1,0,0,0,0|1,1,0]=3 138 B5R0.3 OC[C@H](O)CCl DY20314 [0,1,0,0,0,0|1,1,0]=3 139 B5R1.1 C1=CCNC1 DY10278 [0,0,0,1,0,0|1,0,2]=4 140 B5R1.1 C1=CCNC1 DY798015 [0,0,0,1,0,0|1,0,2]=4 141 B5R1.1 C1=NCCO1 DY793809 [0,0,0,1,0,0|1,1,1]=4 142 B5R1.1 C1CNNC1 NO16750 [0,0,0,1,0,0|2,0,0]=3 143 B5R1.1 C1COCO1 DY822673 [0,0,0,1,0,0|1,1,0]=3 144 B5R1.2 BrC1COC1 DY425330 [0,0,0,1,0,0|2,0,0]=3 145 B5R1.2 C=C1COC1 DY584212 [0,0,0,1,0,0|2,0,1]=4 146 B5R1.2 CC1CNC1 NO13089 [0,0,0,1,0,0|2,0,0]=3 147 B5R1.2 C[C@H]1CCN1 DY625021 [0,0,0,1,0,0|1,0,0]=2 148 B5R1.2 ClC1CCC1 DY756391 [0,0,0,1,0,0|1,0,0]=2 149 B5R1.2 ClC1CNC1 DY586642 [0,0,0,1,0,0|2,0,0]=3 150 B5R1.2 FC1CNC1 NO22297 [0,0,0,1,0,0|2,0,0]=3 151 B5R1.2 IC1CNC1 DY444286 [0,0,0,1,0,0|2,0,0]=3 152 B5R1.2 IC1COC1 DY10503 [0,0,0,1,0,0|2,0,0]=3 153 B5R1.2 NC1COC1 NO22388 [0,0,0,1,0,0|2,0,0]=3 154 B5R1.2 O=C1CCC1 DY10479 [0,0,0,1,0,0|0,1,1]=3 155 B5R1.2 O=C1CCO1 DY561045 [0,0,0,1,0,0|1,1,1]=4 156 B5R1.2 O=C1COC1 NO22391 [0,0,0,1,0,0|1,1,1]=4 157 B5R1.2 O=C1CSC1 NO13345 [0,0,0,1,0,0|1,1,1]=4 158 B5R1.2 OC1CCC1 NO11176 [0,0,0,1,0,0|0,1,0]=2 159 B5R1.2 OC1CNC1 NO14687 [0,0,0,1,0,0|1,1,0]=3 160 B5R1.2 OC1COC1 NO19329 [0,0,0,1,0,0|1,1,0]=3 161 B5R1.3 BrCC1CC1 DY10481 [0,0,0,1,0,0|1,0,0]=2 162 B5R1.3 BrCC1CO1 DY822350 [0,0,0,1,0,0|1,1,0]=3 163 B5R1.3 BrC[C@H]1CO1 DY822260 [0,0,0,1,0,0|1,1,0]=3 164 B5R1.3 CC[C@H]1CO1 DY20699 [0,0,0,1,0,0|0,1,0]=2 165 B5R1.3 CNC1CC1 NO13160 [0,0,0,1,0,0|2,0,0]=3 166 B5R1.3 ClCC1CC1 NO19956 [0,0,0,1,0,0|1,0,0]=2 167 B5R1.3 ClC[C@@H]1CO1 DY20322 [0,0,0,1,0,0|1,1,0]=3 168 B5R1.3 ClC[C@H]1CO1 DY557877 [0,0,0,1,0,0|1,1,0]=3 169 B5R1.3 NCC1CC1 NO18907 [0,0,0,1,0,0|1,0,0]=2 170 B5R1.3 NNC1CC1 NO15677 [0,0,0,1,0,0|2,0,0]=3 171 B5R1.3 NNC1CC1 NO18095 [0,0,0,1,0,0|2,0,0]=3 172 B5R1.3 OCC1CC1 NO19620 [0,0,0,1,0,0|0,1,0]=2 173 B5R1.4 N[C@@H]1C[C@@H]1F DY620136 [0,0,0,1,0,0|2,0,0]=3 174 B5R1.4 N[C@@H]1C[C@H]1N DY586552 [0,0,0,1,0,0|2,0,0]=3 175 B5R1.4 N[C@H]1C[C@@H]1F DY758461 [0,0,0,1,0,0|2,0,0]=3 176 B5R1.4 N[C@H]1C[C@@H]1N DY586558 [0,0,0,1,0,0|2,0,0]=3 177 B5R1.4 N[C@H]1C[C@H]1N DY586550 [0,0,0,1,0,0|2,0,0]=3 178 B2R0.1 CC#N NO13723 [2,0,0,0,0,0|1,0,1]=4 179 B2R0.1 CC[O-] DY741049 [2,0,0,0,0,0|0,1,0]=3 180 B2R0.1 CNC NO11262 [2,0,0,0,0,0|1,0,0]=3 181 B2R0.1 CNN DY740389 [2,0,0,0,0,0|2,0,0]=4 182 B2R0.1 CNO NO21748 [2,0,0,0,0,0|1,1,0]=4 183 B2R0.1 CON NO19173 [2,0,0,0,0,0|2,0,0]=4 184 B2R0.1 C[Mg]Br DY10193 [2,0,0,0,0,0|2,0,0]=4 185 B2R0.1 C[Zn]Br DY116062 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.1 CC(=O)CBr DY20986 [1,1,0,0,0,0|1,0,1]=4 187 B4R0.1 CC(=O)CN NO10921 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.1 CC(=O)CO NO11467 [1,1,0,0,0,0|0,1,1]=4 189 B4R0.1 CC(C)CO DY740701 [1,1,0,0,0,0|0,1,0]=3 190 B4R0.1 CC(C)NN NO11525 [1,1,0,0,0,0|2,0,0]=4 191 B4R0.1 CC(C)ON NO13668 [1,1,0,0,0,0|2,0,0]=4 192 B4R0.1 CC(Cl)CCl DY822285 [1,1,0,0,0,0|1,0,0]=3 193 B4R0.1 CC(N)C#N DY568905 [1,1,0,0,0,0|1,0,1]=4 194 B4R0.1 CC(N)C#N DY741121 [1,1,0,0,0,0|1,0,1]=4 195 B4R0.1 CC(N)CO NO21310 [1,1,0,0,0,0|0,1,0]=3 196 B4R0.1 CC(O)CCl DY586846 [1,1,0,0,0,0|1,0,0]=3 197 B4R0.1 CCB(O)O NO13979 [1,1,0,0,0,0|1,1,0]=4 198 B4R0.1 CCC(C)I DY740911 [1,1,0,0,0,0|0,0,0]=2 199 B4R0.1 CCC(N)=O NO11886 [1,1,0,0,0,0|0,1,1]=4 200 B4R0.1 CCP(Cl)Cl DY525741 [1,1,0,0,0,0|2,0,0]=4 201 B4R0.1 C[C@@H](Cl)CO NO20251 [1,1,0,0,0,0|0,1,0]=3 202 B4R0.1 C[C@@H](N)CN DY10147 [1,1,0,0,0,0|1,0,0]=3 203 B4R0.1 C[C@@H](N)CO NO14182 [1,1,0,0,0,0|0,1,0]=3 204 B4R0.1 C[C@@H](O)CCl DY20696 [1,1,0,0,0,0|1,0,0]=3 205 B4R0.1 C[C@@H](O)CO DY20330 [1,1,0,0,0,0|0,1,0]=3 206 B4R0.1 C[C@H](N)CN NO20323 [1,1,0,0,0,0|1,0,0]=3 207 B4R0.1 C[C@H](N)CO DY624919 [1,1,0,0,0,0|0,1,0]=3 208 B4R0.1 C[C@H](N)CO NO19476 [1,1,0,0,0,0|0,1,0]=3 209 B4R0.1 C[C@H](O)C#N DY822232 [1,1,0,0,0,0|1,0,1]=4 210 B4R0.1 C[C@H](O)CCl DY20697 [1,1,0,0,0,0|1,0,0]=3 211 B4R0.1 C[C@H](O)CN NO14075 [1,1,0,0,0,0|1,0,0]=3 212 B4R0.1 C\C=C(/C)Br DY10255 [1,1,0,0,0,0|0,0,2]=4 213 B4R0.1 C\N=[N+](/C)[O-] DY544839 [1,1,0,0,0,0|2,0,0]=4 214 B4R0.1 NC(=O)CS DY570543 [1,1,0,0,0,0|1,0,1]=4 215 B4R0.1 O=C([O-])CS DY822459 [1,1,0,0,0,0|1,0,1]=4 216 B4R0.1 OCC(F)F NO20974 [1,1,0,0,0,0|1,1,0]=4 217 B6R0.1 C=CC(O)CCN DY787899 [0,2,0,0,0,0|1,0,1]=4 218 B6R0.1 CC(CN)CCN DY791871 [0,2,0,0,0,0|1,0,0]=3 219 B6R0.1 CCCC(=O)NN NO22544 [0,2,0,0,0,0|0,1,1]=4 220 B6R0.1 CCCC(C)CBr DY112368 [0,2,0,0,0,0|1,0,0]=3 221 B6R0.1 CCCC(O)CO NO20495 [0,2,0,0,0,0|0,1,0]=3 222 B6R0.1 CCNC(=O)CN DY461322 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.1 CCOC(=O)CC DY460554 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.1 CCOC(=O)CN DY700831 [0,2,0,0,0,0|1,0,1]=4 225 B6R0.1 CCOC(=O)CN NO15347 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.1 CCOC(=O)CO NO11386 [0,2,0,0,0,0|0,1,1]=4 227 B6R0.1 COC(=N)CCCl DY799605 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.1 COC(=O)CCCl DY741043 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.1 COC(=O)CCN NO22266 [0,2,0,0,0,0|1,0,1]=4 230 B6R0.1 COC(=O)CSC DY460536 [0,2,0,0,0,0|1,0,1]=4 231 B6R0.1 N#CCC(O)CCl DY504207 [0,2,0,0,0,0|1,0,1]=4 232 B6R0.1 N#CC[C@H](O)CCl NO22599 [0,2,0,0,0,0|1,0,1]=4 233 B6R0.1 NCCC(O)CO DY608108 [0,2,0,0,0,0|0,1,0]=3 234 B6R0.1 OC(CBr)CCBr DY740743 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.2 CC(C)CB(O)O NO22276 [0,2,0,0,0,0|1,1,0]=4 236 B6R0.2 CC(C)CC(C)N DY822361 [0,2,0,0,0,0|1,0,0]=3 237 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,2,0,0,0,0|0,1,1]=4 238 B6R0.2 CC(O)CN(C)C DY741373 [0,2,0,0,0,0|1,1,0]=4 239 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,2,0,0,0,0|0,1,1]=4 240 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,2,0,0,0,0|2,0,0]=4 241 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,2,0,0,0,0|0,1,1]=4 242 B6R0.2 C[C@@H](O)CN(C)C DY585675 [0,2,0,0,0,0|1,1,0]=4 243 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,2,0,0,0,0|0,1,1]=4 244 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,2,0,0,0,0|0,1,1]=4 245 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,2,0,0,0,0|0,1,1]=4 246 B6R0.3 CC(C)C(=O)CCl DY740659 [0,2,0,0,0,0|1,0,1]=4 247 B6R0.3 CC(C)[C@@H](N)CO NO22659 [0,2,0,0,0,0|0,1,0]=3 248 B6R0.3 CC(C)[C@H](N)CO NO17224 [0,2,0,0,0,0|0,1,0]=3 249 B6R0.3 CCC(N)C(=O)O NO14084 [0,2,0,0,0,0|0,1,1]=4 250 B6R0.3 CCC(O)C(=O)O DY562593 [0,2,0,0,0,0|0,1,1]=4 251 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,2,0,0,0,0|0,1,1]=4 252 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,2,0,0,0,0|0,1,1]=4 253 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,2,0,0,0,0|0,1,1]=4 254 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,2,0,0,0,0|0,1,1]=4 255 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,2,0,0,0,0|0,1,1]=4 256 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,2,0,0,0,0|0,1,1]=4 257 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,2,0,0,0,0|0,1,1]=4 258 B6R0.3 NC(CS)C(=O)O NO19655 [0,2,0,0,0,0|1,0,1]=4 259 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,2,0,0,0,0|1,0,1]=4 261 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,2,0,0,0,0|1,0,1]=4 262 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,2,0,0,0,0|1,0,1]=4 264 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,2,0,0,0,0|1,0,1]=4 265 B6R0.3 O=C(O)[C@H](O)CS DY740539 [0,2,0,0,0,0|1,0,1]=4 266 B6R0.4 C=COCC(C)C DY822723 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.4 CC(=O)CCCBr NO10305 [0,2,0,0,0,0|1,0,0]=3 268 B6R0.4 CC(=O)CCCCl NO10334 [0,2,0,0,0,0|1,0,0]=3 269 B6R0.4 CC(=O)NCCCl DY33011 [0,2,0,0,0,0|1,0,1]=4 270 B6R0.4 CC(C)CCCBr DY740443 [0,2,0,0,0,0|1,0,0]=3 271 B6R0.4 CC(C)NCCN DY20461 [0,2,0,0,0,0|1,0,0]=3 272 B6R0.4 CCCCC(C)O DY740779 [0,2,0,0,0,0|0,1,0]=3 273 B6R0.4 CCCC[SiH](C)C DY500283 [0,2,0,0,0,0|1,0,0]=3 274 B6R0.4 CCNCC(C)C DY564723 [0,2,0,0,0,0|1,0,0]=3 275 B6R0.4 CN(C)CCCBr NO22184 [0,2,0,0,0,0|1,0,0]=3 276 B6R0.4 CN(C)CCCCl NO13505 [0,2,0,0,0,0|1,0,0]=3 277 B6R0.4 CN(C)CCCCl NO14943 [0,2,0,0,0,0|1,0,0]=3 278 B6R0.4 CNCCC(C)C DY543681 [0,2,0,0,0,0|1,0,0]=3 279 B6R0.4 CNCCC(C)C DY553713 [0,2,0,0,0,0|1,0,0]=3 280 B6R0.4 CNCCN(C)C NO11723 [0,2,0,0,0,0|2,0,0]=4 281 B6R0.4 CNCCN(C)C NO15131 [0,2,0,0,0,0|2,0,0]=4 282 B6R0.4 COCCC(=N)N DY569565 [0,2,0,0,0,0|1,0,1]=4 283 B6R0.4 CSCCC(C)=O DY740809 [0,2,0,0,0,0|0,0,1]=3 284 B6R0.4 NCCCC(=O)O NO14998 [0,2,0,0,0,0|0,1,1]=4 285 B6R0.4 O=C(O)CCCBr NO14053 [0,2,0,0,0,0|0,1,1]=4 286 B6R0.5 CC(C)(C)CC=O DY20142 [0,2,0,0,0,0|0,1,1]=4 287 B6R0.5 CC(C)(C)CCO NO21905 [0,2,0,0,0,0|0,1,0]=3 288 B6R0.5 CC(C)(O)CCBr NO15788 [0,2,0,0,0,0|1,0,0]=3 289 B6R0.5 CCCS(=O)(=O)Cl DY20992 [0,2,0,0,0,0|1,1,0]=4 290 B6R0.5 CCCS(=O)(=O)[O-] DY32074 [0,2,0,0,0,0|1,1,0]=4 291 B6R0.5 C[Si](C)(C)CCN DY789417 [0,2,0,0,0,0|1,1,0]=4 292 B6R0.5 C[Si](C)(C)CCO DY546735 [0,2,0,0,0,0|0,2,0]=4 293 B6R0.5 FC(F)(F)CCI DY20958 [0,2,0,0,0,0|2,0,0]=4 294 B6R0.5 NCCC(F)(F)F NO14596 [0,2,0,0,0,0|2,0,0]=4 295 B6R0.6 BrCCNCCBr NO11032 [0,2,0,0,0,0|1,0,0]=3 296 B6R0.6 C#CCCCC=C DY565911 [0,2,0,0,0,0|1,0,1]=4 297 B6R0.6 C#CCNCCBr DY540501 [0,2,0,0,0,0|1,0,1]=4 298 B6R0.6 C#CCOCCO DY457828 [0,2,0,0,0,0|0,1,1]=4 299 B6R0.6 C=CCCCCCl DY427568 [0,2,0,0,0,0|1,0,0]=3 300 B6R0.6 C=CCCCCO NO10397 [0,2,0,0,0,0|0,1,0]=3 301 B6R0.6 C=CCCC[Zn]Br DY121349 [0,2,0,0,0,0|1,0,1]=4 302 B6R0.6 CC#CCCCO DY580533 [0,2,0,0,0,0|0,1,0]=3 303 B6R0.6 CCCCON=O DY461106 [0,2,0,0,0,0|0,1,0]=3 304 B6R0.6 CCCCSCC DY740893 [0,2,0,0,0,0|0,0,0]=2 305 B6R0.6 CCCOCCO DY740785 [0,2,0,0,0,0|0,1,0]=3 306 B6R0.6 CNCCCCBr DY741283 [0,2,0,0,0,0|1,0,0]=3 307 B6R0.6 CNCCCCO DY554133 [0,2,0,0,0,0|0,1,0]=3 308 B6R0.6 COCCCCBr NO22933 [0,2,0,0,0,0|0,1,0]=3 309 B6R0.6 COCCCCO DY741295 [0,2,0,0,0,0|0,1,0]=3 310 B6R0.6 COCCCOC DY792147 [0,2,0,0,0,0|0,1,0]=3 311 B6R0.6 ClCCCCCBr DY559653 [0,2,0,0,0,0|1,0,0]=3 312 B6R0.6 ClCCNCCCl NO16038 [0,2,0,0,0,0|1,0,0]=3 313 B6R0.6 FCCCCCBr NO14708 [0,2,0,0,0,0|1,0,0]=3 314 B6R0.6 FCCCCCF DY822300 [0,2,0,0,0,0|1,0,0]=3 315 B6R0.6 N#CCCCCCl NO10359 [0,2,0,0,0,0|1,0,0]=3 316 B6R0.6 NCCCCCN NO19074 [0,2,0,0,0,0|1,0,0]=3 317 B6R0.6 NCCNCCN DY740695 [0,2,0,0,0,0|1,0,0]=3 318 B6R0.6 NCCNCCO DY506670 [0,2,0,0,0,0|0,1,0]=3 319 B6R0.6 O=CCCCC=O DY822316 [0,2,0,0,0,0|0,1,1]=4 320 B6R0.6 O=CCCCCBr DY510224 [0,2,0,0,0,0|0,1,0]=3 321 B6R0.6 OCCCCCCl NO14778 [0,2,0,0,0,0|0,1,0]=3 322 B6R0.6 OCCCCCF DY822292 [0,2,0,0,0,0|0,1,0]=3 323 B6R0.6 OCCCCCO NO20549 [0,2,0,0,0,0|0,1,0]=3 324 B6R0.6 OCCNCCCl DY544797 [0,2,0,0,0,0|0,1,0]=3 325 B6R0.8 CC(C)(CBr)CBr NO20516 [0,2,0,0,0,0|2,0,0]=4 326 B6R0.8 CC(C)(CN)CO NO22037 [0,2,0,0,0,0|1,1,0]=4 327 B6R0.8 CC(C)(CO)CO DY514971 [0,2,0,0,0,0|1,1,0]=4 328 B6R0.8 CCC(C)(N)C#N NO17000 [0,2,0,0,0,0|1,0,1]=4 329 B6R0.8 CC[Sn](Cl)(Cl)CC DY575727 [0,2,0,0,0,0|2,0,0]=4 330 B6R0.9 C=CC(CC)CO DY822489 [0,2,0,0,0,0|0,1,0]=3 331 B6R0.9 CCC(CN)OC DY610294 [0,2,0,0,0,0|1,0,0]=3 332 B6R0.9 CC[O+](CC)CC DY794781 [0,2,0,0,0,0|2,0,0]=4 333 B4R1.1 C1CNC1 NO14211 [1,0,0,1,0,0|1,0,0]=3 334 B4R1.2 BrC1CC1 NO19063 [1,0,0,1,0,0|1,0,0]=3 335 B6R1.2 BrC1CCNC1 NO15742 [0,1,0,1,0,0|1,0,0]=3 336 B6R1.2 C=C1CCSC1 DY523665 [0,1,0,1,0,0|0,0,1]=3 337 B6R1.2 CC1=NCCC1 NO21664 [0,1,0,1,0,0|1,0,0]=3 338 B6R1.2 CC1CCCN1 NO21699 [0,1,0,1,0,0|1,0,0]=3 339 B6R1.2 CC1CCCN1 NO21700 [0,1,0,1,0,0|1,0,0]=3 340 B6R1.2 CC1CCCO1 DY20580 [0,1,0,1,0,0|0,1,0]=3 341 B6R1.2 CC1CCNC1 DY667237 [0,1,0,1,0,0|1,0,0]=3 342 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,1,0,1,0,0|1,0,0]=3 343 B6R1.2 C[C@H]1CCCN1 NO18800 [0,1,0,1,0,0|1,0,0]=3 344 B6R1.2 C[C@H]1CCCN1 NO19735 [0,1,0,1,0,0|1,0,0]=3 345 B6R1.2 FC1CCNC1 NO12894 [0,1,0,1,0,0|1,0,0]=3 346 B6R1.2 F[C@H]1CCNC1 NO14870 [0,1,0,1,0,0|1,0,0]=3 347 B6R1.2 N=C1CCCS1 DY556065 [0,1,0,1,0,0|0,0,1]=3 348 B6R1.2 NC1=NCCC1 NO19310 [0,1,0,1,0,0|1,0,1]=4 349 B6R1.2 NC1CC=CC1 NO19415 [0,1,0,1,0,0|1,0,1]=4 350 B6R1.2 NC1CCNC1 DY572169 [0,1,0,1,0,0|1,0,0]=3 351 B6R1.2 NC1CCOC1 NO12010 [0,1,0,1,0,0|0,1,0]=3 352 B6R1.2 NN1CCCC1 DY564555 [0,1,0,1,0,0|1,0,0]=3 353 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,1,0,1,0,0|0,1,0]=3 354 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,1,0,1,0,0|0,1,0]=3 355 B6R1.2 N[C@H]1CCNC1 DY508670 [0,1,0,1,0,0|1,0,0]=3 356 B6R1.2 N[C@H]1CCOC1 DY626689 [0,1,0,1,0,0|0,1,0]=3 357 B6R1.2 N[C@H]1CCOC1 NO20366 [0,1,0,1,0,0|0,1,0]=3 358 B6R1.2 O=C1CCCC1 DY21085 [0,1,0,1,0,0|0,1,0]=3 359 B6R1.2 O=C1CCNC1 NO22412 [0,1,0,1,0,0|0,1,1]=4 360 B6R1.2 O=C1CCOC1 NO18178 [0,1,0,1,0,0|0,1,1]=4 361 B6R1.2 O=C1CCSC1 DY20305 [0,1,0,1,0,0|0,0,1]=3 362 B6R1.2 OC1CC=CC1 DY10342 [0,1,0,1,0,0|0,1,1]=4 363 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,1,0,1,0,0|0,1,0]=3 364 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,1,0,1,0,0|0,1,0]=3 365 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,1,0,1,0,0|0,1,0]=3 366 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,1,0,1,0,0|1,1,0]=4 367 B6R1.2 O[C@H]1CCNC1 NO21757 [0,1,0,1,0,0|0,1,0]=3 368 B6R1.2 SC1CCOC1 DY789441 [0,1,0,1,0,0|0,0,0]=2 369 B6R1.3 ICCC1CC1 DY549405 [0,1,0,1,0,0|1,0,0]=3 370 B6R1.3 N#CCC1CC1 DY433947 [0,1,0,1,0,0|1,0,0]=3 371 B6R1.3 NNCC1CC1 DY509474 [0,1,0,1,0,0|1,0,0]=3 372 B6R1.3 NNCC1CC1 DY586553 [0,1,0,1,0,0|1,0,0]=3 373 B6R1.3 OCCN1CC1 DY505047 [0,1,0,1,0,0|0,1,0]=3 374 B6R1.5 CC1CC(N)C1 DY105778 [0,1,0,1,0,0|1,0,0]=3 375 B6R1.5 CC1CC(O)C1 DY539301 [0,1,0,1,0,0|0,1,0]=3 376 B6R1.5 CN1CC(N)C1 DY444125 [0,1,0,1,0,0|2,0,0]=4 377 B6R1.5 NC1CC(=O)C1 DY444232 [0,1,0,1,0,0|0,1,1]=4 378 B6R1.5 NC1CC(=O)C1 DY756175 [0,1,0,1,0,0|0,1,1]=4 379 B6R1.5 NC1CC(N)C1 DY103595 [0,1,0,1,0,0|1,0,0]=3 380 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [0,1,0,1,0,0|0,1,0]=3 381 B6R1.8 COC1CC1N DY503985 [0,1,0,1,0,0|1,0,0]=3 382 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [0,1,0,1,0,0|0,1,0]=3 383 B6R1.8 OCC1C[C@@H]1F DY102848 [0,1,0,1,0,0|0,1,0]=3 384 B6R1.10 CC1(N)COC1 DY444292 [0,1,0,1,0,0|2,0,0]=4 385 B6R1.10 CC1(N)COC1 NO14859 [0,1,0,1,0,0|2,0,0]=4 386 B6R1.10 CC1(N)CSC1 DY113158 [0,1,0,1,0,0|2,0,0]=4 387 B6R1.10 CC1(O)CNC1 NO15502 [0,1,0,1,0,0|1,1,0]=4 388 B6R1.10 FC1(F)CNC1 NO21899 [0,1,0,1,0,0|2,0,0]=4 389 B6R1.11 CC(C)C1CO1 DY791517 [0,1,0,1,0,0|0,1,0]=3 390 B6R1.11 CC(N)C1CC1 DY528885 [0,1,0,1,0,0|1,0,0]=3 391 B6R1.11 CC(O)C1CC1 DY757429 [0,1,0,1,0,0|0,1,0]=3 392 B6R1.11 C[C@H](N)C1CC1 DY623903 [0,1,0,1,0,0|1,0,0]=3 393 B6R1.11 N=C(N)C1CC1 DY559371 [0,1,0,1,0,0|1,0,1]=4 394 B6R1.11 N=C(N)C1CC1 NO16535 [0,1,0,1,0,0|1,0,1]=4 395 B6R1.11 NC(=O)C1CC1 NO16456 [0,1,0,1,0,0|0,1,1]=4 396 B6R1.11 NC(=S)C1CC1 DY21067 [0,1,0,1,0,0|0,0,2]=4 397 B6R1.11 O=C(O)C1CC1 NO13839 [0,1,0,1,0,0|0,1,1]=4 398 B6R1.11 O=S(O)C1CC1 DY586549 [0,1,0,1,0,0|1,1,0]=4 399 B6R1.11 OB(O)C1CC1 DY20194 [0,1,0,1,0,0|1,1,0]=4 400 B6R1.1 C1=CCNCC1 DY444071 [0,1,0,1,0,0|1,0,1]=4 401 B6R1.1 C1=CCSCC1 DY427366 [0,1,0,1,0,0|0,0,1]=3 402 B6R1.1 C1=COCCC1 DY20500 [0,1,0,1,0,0|0,1,1]=4 403 B6R1.1 C1CCNCC1 DY822173 [0,1,0,1,0,0|1,0,0]=3 404 B6R1.1 C1CCNNC1 DY586554 [0,1,0,1,0,0|1,0,0]=3 405 B6R1.1 C1CCNNC1 NO17893 [0,1,0,1,0,0|1,0,0]=3 406 B6R1.1 C1CCSCC1 DY822278 [0,1,0,1,0,0|0,0,0]=2 407 B6R1.1 C1CNCOC1 DY524601 [0,1,0,1,0,0|0,1,0]=3 408 B6R1.1 C1COCCN1 DY20726 [0,1,0,1,0,0|0,1,0]=3 409 B6R1.1 C1COCOC1 DY822672 [0,1,0,1,0,0|0,1,0]=3 410 B6R1.1 C1CSCCN1 DY20759 [0,1,0,1,0,0|0,0,0]=2 411 B6R1.4 CC1OCC1N DY732961 [0,1,0,1,0,0|0,1,0]=3 412 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [0,1,0,1,0,0|0,1,0]=3 413 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [0,1,0,1,0,0|0,1,0]=3 414 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [0,1,0,1,0,0|0,1,0]=3 415 B6R1.6 BrCC1CCC1 DY10470 [0,1,0,1,0,0|1,0,0]=3 416 B6R1.6 C=CC1CNC1 DY586611 [0,1,0,1,0,0|1,0,1]=4 417 B6R1.6 COC1CNC1 NO17370 [0,1,0,1,0,0|1,1,0]=4 418 B6R1.6 N#CC1CNC1 NO10942 [0,1,0,1,0,0|1,0,1]=4 419 B6R1.6 NCC1CCC1 DY554907 [0,1,0,1,0,0|1,0,0]=3 420 B6R1.6 NCC1CCC1 NO11178 [0,1,0,1,0,0|1,0,0]=3 421 B6R1.6 NCC1CCS1 DY585795 [0,1,0,1,0,0|0,0,0]=2 422 B6R1.6 NCC1CNC1 DY508838 [0,1,0,1,0,0|1,0,0]=3 423 B6R1.6 NCC1COC1 DY10517 [0,1,0,1,0,0|1,0,0]=3 424 B6R1.6 NNC1CCC1 DY527943 [0,1,0,1,0,0|1,0,0]=3 425 B6R1.6 OCC1CCO1 NO15009 [0,1,0,1,0,0|0,1,0]=3 426 B6R1.6 OCC1CNC1 NO12891 [0,1,0,1,0,0|0,1,0]=3 427 B6R1.6 OCC1COC1 NO14670 [0,1,0,1,0,0|0,1,0]=3 428 B6R1.6 OC[C@@H]1CCN1 NO15230 [0,1,0,1,0,0|0,1,0]=3 429 B6R1.7 C#CC1(N)CC1 DY21061 [0,1,0,1,0,0|1,0,1]=4 430 B6R1.7 CCC1(N)CC1 DY586551 [0,1,0,1,0,0|1,0,0]=3 431 B6R1.7 C[C@@]1(CO)CO1 DY575949 [0,1,0,1,0,0|1,1,0]=4 432 B6R1.7 N#CC1(N)CC1 NO13582 [0,1,0,1,0,0|1,0,1]=4 433 B6R1.7 NC1(CO)CC1 NO13349 [0,1,0,1,0,0|0,1,0]=3 434 B6R1.7 NCC1(O)CC1 NO20441 [0,1,0,1,0,0|1,0,0]=3