0 B6R0.1 C=CC(O)CC#N DY562983 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C=CC(O)CCN DY787899 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.1 CC(CN)CCN DY791871 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCCC(=O)NN NO22544 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 CCCC(C)CBr DY112368 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 CCCC(O)CO NO20495 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.1 CCNC(=O)CN DY461322 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.1 CCOC(=O)CC DY460554 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 CCOC(=O)CN DY700831 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCOC(=O)CN NO15347 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CCOC(=O)CO NO11386 [0,0,0,0,0,0|2,0,2]=4 11 B6R0.1 COC(=N)CCCl DY799605 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 COC(=O)CCCl DY741043 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 COC(=O)CCN NO22266 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 COC(=O)CSC DY460536 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 N#CCC(O)CCl DY504207 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.1 N#CC[C@H](O)CCl NO22599 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 NCCC(O)CO DY608108 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.1 OC(CBr)CCBr DY740743 [0,0,0,0,0,0|2,0,0]=2 19 B5R0.1 C=C(C)CCBr NO14513 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)CC=O NO11530 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(C)CCBr DY460632 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(N)CCO NO22096 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.1 CC(O)CON NO17735 [1,0,0,0,0,0|2,0,0]=3 24 B5R0.1 CCCB(O)O NO14802 [1,0,0,0,0,0|2,0,0]=3 25 B5R0.1 CCCC(=O)[O-] DY822775 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 CCCC(C)=O NO21731 [1,0,0,0,0,0|0,0,2]=3 27 B5R0.1 CCCC(C)O DY741013 [1,0,0,0,0,0|0,0,0]=1 28 B5R0.1 CCNC(C)=O DY564051 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CCOC(C)=N DY500026 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CN(C)CCBr NO10949 [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 CN(C)CCCl NO14471 [1,0,0,0,0,0|3,0,0]=4 32 B5R0.1 CN(C)CCN NO18603 [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 CN(C)CCO NO11733 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CNCC(=O)O NO18595 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 COCC(=O)O NO11579 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.1 COCC(C)O NO20741 [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 COC[C@@H](C)O NO20249 [1,0,0,0,0,0|1,0,0]=2 38 B5R0.1 COC[C@H](C)N DY623421 [1,0,0,0,0,0|2,0,0]=3 39 B5R0.1 COC[C@H](C)O NO20309 [1,0,0,0,0,0|1,0,0]=2 40 B5R0.1 CSCC(=O)O DY543879 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.1 C[C@@H](N)CCO NO14355 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.1 C[C@H](N)CCO DY625189 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 C[C@H](N)CCO NO14356 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 C[C@H](O)CC#N DY625225 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,0,0,0,0,0|0,0,2]=3 46 B5R0.1 FCCC(F)F DY793407 [1,0,0,0,0,0|3,0,0]=4 47 B5R0.1 NCCC(=O)O NO13499 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.1 PCCC(Cl)Cl DY527415 [1,0,0,0,0,0|3,0,0]=4 49 B5R0.2 C=CCCCBr DY460284 [1,0,0,0,0,0|1,0,2]=4 50 B5R0.2 CCC#CCC DY740797 [1,0,0,0,0,0|0,0,2]=3 51 B5R0.2 CCCCCBr NO20657 [1,0,0,0,0,0|1,0,0]=2 52 B5R0.2 CCCC[Mg]Cl DY567561 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.2 CCOCCBr NO21396 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.2 CC\C=C\CO DY527871 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.2 CNCCC#N NO22369 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 CNCCCO NO14200 [1,0,0,0,0,0|2,0,0]=3 57 B5R0.2 CNCCNC NO15116 [1,0,0,0,0,0|2,0,0]=3 58 B5R0.2 COCCC#N NO22345 [1,0,0,0,0,0|2,0,1]=4 59 B5R0.2 COCCCBr NO20649 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.2 COCCCO NO20039 [1,0,0,0,0,0|2,0,0]=3 61 B5R0.2 COCCOC DY546591 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.2 CSCCCO DY557199 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.2 C\C=C\CCO DY799773 [1,0,0,0,0,0|1,0,2]=4 64 B5R0.2 FCCCCF DY822299 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 N#CCCCN DY548775 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 NCCCCBr NO14979 [1,0,0,0,0,0|2,0,0]=3 67 B5R0.2 NCCCCN NO19906 [1,0,0,0,0,0|2,0,0]=3 68 B5R0.2 OCCCCF DY822291 [1,0,0,0,0,0|2,0,0]=3 69 B5R0.3 C=C[C@H](O)CO DY625759 [1,0,0,0,0,0|1,0,2]=4 70 B5R0.3 CCC(=O)OC DY460566 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.3 CCC(Br)C#N DY789951 [1,0,0,0,0,0|2,0,1]=4 72 B5R0.3 CCC(N)CO DY20718 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.3 CCC(N)CO DY741331 [1,0,0,0,0,0|2,0,0]=3 74 B5R0.3 CCC(O)CN DY519471 [1,0,0,0,0,0|1,0,0]=2 75 B5R0.3 CCC(O)CO DY822703 [1,0,0,0,0,0|1,0,0]=2 76 B5R0.3 CCN(O)CC DY551655 [1,0,0,0,0,0|1,0,0]=2 77 B5R0.3 CC[C@@H](N)CO NO15119 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.3 CC[C@H](C)C#N DY822231 [1,0,0,0,0,0|2,0,1]=4 79 B5R0.3 CC[C@H](N)CO DY10528 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.3 CC[C@H](O)CO NO15622 [1,0,0,0,0,0|1,0,0]=2 81 B5R0.3 CO[C@H](C)CN DY622119 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.3 CO[C@H](C)CN NO17733 [1,0,0,0,0,0|3,0,0]=4 83 B5R0.3 CO[C@H](C)CO NO12306 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.3 NC(CO)CO NO18352 [1,0,0,0,0,0|3,0,0]=4 85 B5R0.3 NCC(O)CN NO14232 [1,0,0,0,0,0|2,0,0]=3 86 B5R0.3 NCC(O)CO NO18397 [1,0,0,0,0,0|2,0,0]=3 87 B5R0.3 NC[C@@H](O)CO NO14832 [1,0,0,0,0,0|2,0,0]=3 88 B5R0.3 NC[C@H](O)CCl DY427329 [1,0,0,0,0,0|2,0,0]=3 89 B5R0.3 NC[C@H](O)CO DY20311 [1,0,0,0,0,0|2,0,0]=3 90 B5R0.3 OC[C@@H](O)CCl NO15061 [1,0,0,0,0,0|2,0,0]=3 91 B5R0.3 OC[C@H](O)CCl DY20314 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.2 CC(C)CC(=O)CN DY540483 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,1,0,0,0,0|0,0,3]=4 96 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,1,0,0,0,0|2,0,1]=4 98 B7R0.2 CN(C)CC(N)CO DY533205 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.2 CN(C)CC(O)CO NO15349 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,1,0,0,0,0|1,0,2]=4 101 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,1,0,0,0,0|1,0,2]=4 102 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,1,0,0,0,0|1,0,2]=4 103 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,1,0,0,0,0|1,0,2]=4 104 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.3 C#CCC[C@H](N)CO DY516333 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.3 CCCCC(O)CO DY567525 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.3 CCCOC(C)CN DY605531 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.3 CCN(C)CCCO DY604490 [0,1,0,0,0,0|2,0,0]=3 109 B7R0.3 NCC(Cl)CCCCl DY822547 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.5 CC(C)N(C)CCN DY604213 [0,1,0,0,0,0|3,0,0]=4 111 B7R0.5 CCCC(=O)N(C)C DY584357 [0,1,0,0,0,0|1,0,2]=4 112 B7R0.5 CCCC(C)C(C)=O DY740965 [0,1,0,0,0,0|1,0,1]=3 113 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,1,0,0,0,0|2,0,1]=4 114 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,1,0,0,0,0|2,0,1]=4 115 B7R0.5 CCNC(=O)C(C)Cl DY605068 [0,1,0,0,0,0|1,0,2]=4 116 B7R0.5 CCOC(=O)C(C)C NO11388 [0,1,0,0,0,0|1,0,2]=4 117 B7R0.5 CCOC(=O)C(C)N DY628935 [0,1,0,0,0,0|1,0,2]=4 118 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,1,0,0,0,0|1,0,2]=4 119 B7R0.5 NCCC(O)C(=O)O NO15496 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,1,0,0,0,0|2,0,1]=4 121 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.7 CCOC(=O)CCN NO14330 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.7 CCOC(=O)CNC NO17068 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.7 CCOC(=O)COC NO11389 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.7 COCC(N)COC NO21215 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.7 O=C(CCCl)CCCl NO19912 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.10 CCC(C)[C@H](N)C#N DY620666 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [0,1,0,0,0,0|2,0,1]=4 132 B7R0.10 OC(CBr)C(O)CBr DY523851 [0,1,0,0,0,0|2,0,0]=3 133 B7R0.11 CC#CC(C)(O)CCl DY790755 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.12 CCN(CC)CCBr DY504939 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.12 CCN(CC)CCN DY21046 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.12 CCOC(CC)CN DY605537 [0,1,0,0,0,0|2,0,0]=3 137 B7R0.12 COCC(OC)OC DY822270 [0,1,0,0,0,0|2,0,0]=3 138 B7R1.1 BrCC1CCCC1 DY20145 [0,0,0,1,0,0|2,0,0]=3 139 B7R1.1 BrCC1OCCO1 NO21401 [0,0,0,1,0,0|2,0,0]=3 140 B7R1.1 C#CC1CCCC1 DY822738 [0,0,0,1,0,0|1,0,2]=4 141 B7R1.1 C#CC1CCCO1 DY586043 [0,0,0,1,0,0|0,0,2]=3 142 B7R1.1 CCC1CCCN1 DY738230 [0,0,0,1,0,0|1,0,0]=2 143 B7R1.1 CCC1CCNC1 DY585732 [0,0,0,1,0,0|2,0,0]=3 144 B7R1.1 CNC1CCCC1 DY757231 [0,0,0,1,0,0|2,0,0]=3 145 B7R1.1 CNC1CCOC1 DY579885 [0,0,0,1,0,0|3,0,0]=4 146 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,0,0,1,0,0|3,0,0]=4 147 B7R1.1 COC1=NCCC1 NO10423 [0,0,0,1,0,0|2,0,1]=4 148 B7R1.1 COC1CCCC1 DY459258 [0,0,0,1,0,0|2,0,0]=3 149 B7R1.1 COC1CCNC1 NO22350 [0,0,0,1,0,0|3,0,0]=4 150 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,0,0,1,0,0|3,0,0]=4 151 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,0,0,1,0,0|3,0,0]=4 152 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,0,0,1,0,0|2,0,0]=3 154 B7R1.1 NCC1CCCC1 NO14873 [0,0,0,1,0,0|2,0,0]=3 155 B7R1.1 NCC1CCCN1 NO15469 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,0,0,1,0,0|3,0,0]=4 158 B7R1.1 NNC1CCCC1 DY543699 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.1 O=CC1CCCC1 DY21048 [0,0,0,1,0,0|2,0,1]=4 160 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [0,0,0,1,0,0|2,0,1]=4 161 B7R1.1 OCC1CCCC1 NO11185 [0,0,0,1,0,0|2,0,0]=3 162 B7R1.1 OCC1CCCN1 DY556821 [0,0,0,1,0,0|2,0,0]=3 163 B7R1.1 OCC1CCCN1 DY668415 [0,0,0,1,0,0|2,0,0]=3 164 B7R1.1 OCC1CCCO1 DY20392 [0,0,0,1,0,0|1,0,0]=2 165 B7R1.1 OCC1CCNC1 NO11284 [0,0,0,1,0,0|3,0,0]=4 166 B7R1.1 OCC1CCNC1 NO16764 [0,0,0,1,0,0|3,0,0]=4 167 B7R1.1 OCC1CCNC1 NO18341 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.2 CC1CCC(C)N1 DY585723 [0,0,0,1,0,0|2,0,0]=3 174 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,0,0,1,0,0|2,0,0]=3 176 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,0,0,1,0,0|1,0,0]=2 177 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,0,0,1,0,0|2,0,0]=3 178 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,0,0,1,0,0|2,0,0]=3 179 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.2 NC1CCC(O)C1 NO14798 [0,0,0,1,0,0|1,0,0]=2 182 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [0,0,0,1,0,0|2,0,0]=3 183 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,0,0,1,0,0|1,0,0]=2 184 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,0,0,1,0,0|1,0,0]=2 186 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,0,0,1,0,0|1,0,0]=2 187 B7R1.2 O=C1CC(O)CN1 NO14706 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.2 O[C@@H]1C=C[C@H](O)C1 DY547017 [0,0,0,1,0,0|1,0,2]=4 191 B7R1.3 BrC1CCCCC1 NO11079 [0,0,0,1,0,0|1,0,0]=2 192 B7R1.3 BrC1CCNCC1 NO18356 [0,0,0,1,0,0|2,0,0]=3 193 B7R1.3 BrC1CCOCC1 NO18193 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.3 CC1CCCCN1 DY20418 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.3 CC1CNCCN1 NO13503 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.3 CC1CNCCO1 NO21692 [0,0,0,1,0,0|3,0,0]=4 197 B7R1.3 CC1COCCN1 NO22371 [0,0,0,1,0,0|3,0,0]=4 198 B7R1.3 CN1CCNCC1 DY20458 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,0,0,1,0,0|3,0,0]=4 202 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,0,0,1,0,0|3,0,0]=4 203 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,0,0,1,0,0|3,0,0]=4 204 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,0,0,1,0,0|3,0,0]=4 205 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,0,0,1,0,0|3,0,0]=4 206 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,0,0,1,0,0|3,0,0]=4 207 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,0,0,1,0,0|3,0,0]=4 208 B7R1.3 C[C@H]1COCCN1 DY20820 [0,0,0,1,0,0|3,0,0]=4 209 B7R1.3 C[C@H]1COCCN1 NO22413 [0,0,0,1,0,0|3,0,0]=4 210 B7R1.3 ClC1CCCOC1 DY586426 [0,0,0,1,0,0|2,0,0]=3 211 B7R1.3 FC1CCNCC1 NO22845 [0,0,0,1,0,0|2,0,0]=3 212 B7R1.3 IC1CCNCC1 DY638708 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.3 IC1CCOCC1 NO18194 [0,0,0,1,0,0|2,0,0]=3 214 B7R1.3 NC1C=CCCC1 DY608404 [0,0,0,1,0,0|1,0,2]=4 215 B7R1.3 NC1CCCNC1 NO22655 [0,0,0,1,0,0|2,0,0]=3 216 B7R1.3 NC1CCOCC1 NO16997 [0,0,0,1,0,0|2,0,0]=3 217 B7R1.3 NC1CCSCC1 DY541371 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.3 O=C1CCCCO1 NO11208 [0,0,0,1,0,0|1,0,2]=4 222 B7R1.3 O=C1CCCNC1 DY557319 [0,0,0,1,0,0|1,0,2]=4 223 B7R1.3 O=C1CCCNC1 NO17767 [0,0,0,1,0,0|1,0,2]=4 224 B7R1.3 O=C1CCOCC1 NO13380 [0,0,0,1,0,0|1,0,2]=4 225 B7R1.3 O=C1CCSCC1 NO18797 [0,0,0,1,0,0|1,0,2]=4 226 B7R1.3 O=S1CCCCC1 DY822282 [0,0,0,1,0,0|1,0,1]=3 227 B7R1.3 O=S1CCNCC1 DY570699 [0,0,0,1,0,0|2,0,1]=4 228 B7R1.3 OC1C=CCNC1 DY552951 [0,0,0,1,0,0|1,0,2]=4 229 B7R1.3 OC1CCCNC1 NO22642 [0,0,0,1,0,0|1,0,0]=2 230 B7R1.3 OC1CCCOC1 NO17782 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.3 OC1CCNCC1 NO22643 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.3 OC1CCOCC1 NO13929 [0,0,0,1,0,0|1,0,0]=2 233 B7R1.3 OC1CCSCC1 NO12012 [0,0,0,1,0,0|1,0,0]=2 234 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,0,0,1,0,0|1,0,0]=2 235 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,0,0,1,0,0|1,0,0]=2 236 B7R1.3 SC1CCOCC1 DY107026 [0,0,0,1,0,0|1,1,0]=3 237 B7R1.4 BrC1CCCC1Br DY585689 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.4 CC1CCCC1O DY757267 [0,0,0,1,0,0|0,0,0]=1 239 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,1,0,0|1,0,2]=4 240 B7R1.4 CC1OCCC1=O NO14135 [0,0,0,1,0,0|1,0,2]=4 241 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,1,0,0|1,0,2]=4 242 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,1,0,0|1,0,2]=4 243 B7R1.4 NC1CCCC1O NO19404 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,0,0,1,0,0|1,0,0]=2 245 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.4 N[C@@H]1CNC[C@H]1F DY585432 [0,0,0,1,0,0|3,0,0]=4 247 B7R1.4 N[C@@H]1COC[C@@H]1F DY539427 [0,0,0,1,0,0|3,0,0]=4 248 B7R1.4 N[C@@H]1COC[C@H]1N DY444023 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [0,0,0,1,0,0|2,0,0]=3 251 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [0,0,0,1,0,0|2,0,0]=3 252 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,0,0,1,0,0|1,0,0]=2 253 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,0,0,1,0,0|1,0,0]=2 254 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.4 O=C1CCCC1Cl DY567621 [0,0,0,1,0,0|1,0,2]=4 256 B7R1.4 O=C1NCCC1O DY444274 [0,0,0,1,0,0|2,0,1]=4 257 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,0,0,1,0,0|2,0,1]=4 258 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,0,0,1,0,0|2,0,1]=4 259 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [0,0,0,1,0,0|1,0,0]=2 260 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [0,0,0,1,0,0|1,0,0]=2 261 B7R1.4 O[C@@H]1CNC[C@@H]1F DY586649 [0,0,0,1,0,0|2,0,0]=3 262 B7R1.4 O[C@@H]1CNC[C@H]1F DY457961 [0,0,0,1,0,0|2,0,0]=3 263 B7R1.4 O[C@H]1CNC[C@@H]1O NO20186 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,0,0,1,0,0|2,0,0]=3 265 B7R1.6 CCOC1CNC1 DY577479 [0,0,0,1,0,0|3,0,0]=4 266 B7R1.6 OCCC1CCO1 DY551169 [0,0,0,1,0,0|1,0,0]=2 267 B7R1.8 CN1CCC1CN DY104666 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.8 NCC1CCC1F DY528009 [0,0,0,1,0,0|2,0,0]=3 269 B7R1.9 NCC1CC1CO DY528789 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.10 CN1CC(CBr)C1 DY106288 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,0,0,1,0,0|3,0,0]=4 273 B7R1.10 CSC1CC(O)C1 DY536265 [0,0,0,1,0,0|3,0,0]=4 274 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,0,0,1,0,0|3,0,0]=4 275 B7R1.21 CCOC1(O)CC1 NO16017 [0,0,0,1,0,0|1,0,0]=2 276 B7R1.21 NCCC1(O)CC1 DY576975 [0,0,0,1,0,0|1,0,0]=2 277 B7R1.21 OCCC1(F)CC1 DY585233 [0,0,0,1,0,0|2,0,0]=3 278 B7R1.22 C#C[C@@H](O)C1CC1 DY586257 [0,0,0,1,0,0|0,0,2]=3 279 B7R1.22 CCC(=O)C1CC1 DY566457 [0,0,0,1,0,0|0,0,2]=3 280 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,0,0,1,0,0|1,0,0]=2 281 B7R1.22 NCC(O)C1CC1 DY608201 [0,0,0,1,0,0|1,0,0]=2 282 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,0,0,1,0,0|1,0,0]=2 283 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,0,0,1,0,0|2,0,0]=3 284 B7R1.22 O=C(CO)C1CC1 DY758275 [0,0,0,1,0,0|1,0,2]=4 285 B7R1.25 CC1(CBr)COC1 NO22179 [0,0,0,1,0,0|3,0,0]=4 286 B7R1.25 CC1(CCl)COC1 DY573177 [0,0,0,1,0,0|3,0,0]=4 287 B7R1.25 CC1(CN)CNC1 DY586631 [0,0,0,1,0,0|3,0,0]=4 288 B7R1.25 CC1(CN)COC1 NO22390 [0,0,0,1,0,0|3,0,0]=4 289 B7R1.25 CC1(CO)COC1 NO16968 [0,0,0,1,0,0|3,0,0]=4 290 B7R1.25 CC1(CS)COC1 DY115780 [0,0,0,1,0,0|3,0,0]=4 291 B7R1.25 CCC1(O)CNC1 DY444268 [0,0,0,1,0,0|1,0,0]=2 292 B7R1.25 N#CC1(N)CCC1 DY756205 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.25 N#CC1(O)COC1 DY732931 [0,0,0,1,0,0|2,0,1]=4 294 B7R1.25 NCC1(F)CCC1 DY577221 [0,0,0,1,0,0|2,0,0]=3 295 B7R1.25 NCC1(N)CCC1 NO17914 [0,0,0,1,0,0|2,0,0]=3 296 B7R1.25 NCC1(O)CCC1 NO12835 [0,0,0,1,0,0|1,0,0]=2 297 B7R1.25 OCC1(F)CNC1 DY459035 [0,0,0,1,0,0|3,0,0]=4 298 B7R1.25 OCC1(O)CNC1 DY718774 [0,0,0,1,0,0|2,0,0]=3 299 B7R1.27 CCC1(C)ON1C DY549645 [0,0,0,1,0,0|3,0,0]=4 300 B4R0.1 CC(C)CO DY740701 [2,0,0,0,0,0|2,0,0]=4 301 B4R0.1 CC(Cl)CCl DY822285 [2,0,0,0,0,0|2,0,0]=4 302 B4R0.1 CC(N)CO NO21310 [2,0,0,0,0,0|2,0,0]=4 303 B4R0.1 CC(O)CCl DY586846 [2,0,0,0,0,0|1,0,0]=3 304 B4R0.1 CCB(O)O NO13979 [2,0,0,0,0,0|2,0,0]=4 305 B4R0.1 CCC(C)I DY740911 [2,0,0,0,0,0|1,0,0]=3 306 B4R0.1 C[C@@H](Cl)CO NO20251 [2,0,0,0,0,0|2,0,0]=4 307 B4R0.1 C[C@@H](N)CN DY10147 [2,0,0,0,0,0|2,0,0]=4 308 B4R0.1 C[C@@H](N)CO NO14182 [2,0,0,0,0,0|2,0,0]=4 309 B4R0.1 C[C@@H](O)CCl DY20696 [2,0,0,0,0,0|1,0,0]=3 310 B4R0.1 C[C@@H](O)CO DY20330 [2,0,0,0,0,0|1,0,0]=3 311 B4R0.1 C[C@H](N)CN NO20323 [2,0,0,0,0,0|2,0,0]=4 312 B4R0.1 C[C@H](N)CO DY624919 [2,0,0,0,0,0|2,0,0]=4 313 B4R0.1 C[C@H](N)CO NO19476 [2,0,0,0,0,0|2,0,0]=4 314 B4R0.1 C[C@H](O)C#N DY822232 [2,0,0,0,0,0|1,0,1]=4 315 B4R0.1 C[C@H](O)CCl DY20697 [2,0,0,0,0,0|1,0,0]=3 316 B4R0.1 C[C@H](O)CN NO14075 [2,0,0,0,0,0|1,0,0]=3 317 B4R0.2 BrCCCBr DY459264 [2,0,0,0,0,0|2,0,0]=4 318 B4R0.2 C#CCCO DY580491 [2,0,0,0,0,0|0,0,2]=4 319 B4R0.2 CCCCBr DY460620 [2,0,0,0,0,0|1,0,0]=3 320 B4R0.2 CCNCC NO11240 [2,0,0,0,0,0|1,0,0]=3 321 B4R0.2 CNCCBr DY584482 [2,0,0,0,0,0|2,0,0]=4 322 B4R0.2 CNCCO NO20910 [2,0,0,0,0,0|1,0,0]=3 323 B4R0.2 COCCBr DY578823 [2,0,0,0,0,0|2,0,0]=4 324 B4R0.2 COCCN DY822486 [2,0,0,0,0,0|2,0,0]=4 325 B4R0.2 COCCO DY457570 [2,0,0,0,0,0|1,0,0]=3 326 B4R0.2 CSCSC DY528795 [2,0,0,0,0,0|2,0,0]=4 327 B4R0.2 FCCCF DY822298 [2,0,0,0,0,0|2,0,0]=4 328 B4R0.2 ICCCI DY564171 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.2 NCCCBr NO22190 [2,0,0,0,0,0|2,0,0]=4 330 B4R0.2 OCCCF DY822290 [2,0,0,0,0,0|1,0,0]=3 331 B4R0.2 SCCCS DY740347 [2,0,0,0,0,0|1,1,0]=4 332 B4R0.2 [Li]CCCC DY790335 [2,0,0,0,0,0|1,0,0]=3 333 B6R0.2 CC(C)CB(O)O NO22276 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.2 CC(C)CC(C)N DY822361 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.2 CC(O)CC(=O)[O-] DY460020 [1,1,0,0,0,0|1,0,1]=4 336 B6R0.2 CC(O)CN(C)C DY741373 [1,1,0,0,0,0|1,0,0]=3 337 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [1,1,0,0,0,0|1,0,1]=4 338 B6R0.2 C[C@@H](N)CN(C)C DY550137 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [1,1,0,0,0,0|1,0,1]=4 340 B6R0.2 C[C@@H](O)CN(C)C DY585675 [1,1,0,0,0,0|1,0,0]=3 341 B6R0.2 C[C@H](N)CC(=O)O NO20346 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.2 C[C@H](O)CC(=O)O DY426021 [1,1,0,0,0,0|1,0,1]=4 343 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [1,1,0,0,0,0|1,0,1]=4 344 B6R0.3 CC(C)[C@@H](N)CO NO22659 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.3 CC(C)[C@H](N)CO NO17224 [1,1,0,0,0,0|2,0,0]=4 346 B6R0.3 CCC(N)C(=O)O NO14084 [1,1,0,0,0,0|1,0,1]=4 347 B6R0.3 CCC(O)C(=O)O DY562593 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [1,1,0,0,0,0|1,0,1]=4 350 B6R0.3 CC[C@H](N)C(=O)O NO13661 [1,1,0,0,0,0|1,0,1]=4 351 B6R0.4 CC(=O)CCCBr NO10305 [1,1,0,0,0,0|0,0,2]=4 352 B6R0.4 CC(=O)CCCCl NO10334 [1,1,0,0,0,0|0,0,2]=4 353 B6R0.4 CC(C)CCCBr DY740443 [1,1,0,0,0,0|1,0,0]=3 354 B6R0.4 CC(C)NCCN DY20461 [1,1,0,0,0,0|2,0,0]=4 355 B6R0.4 CCCCC(C)O DY740779 [1,1,0,0,0,0|0,0,0]=2 356 B6R0.4 CCCC[SiH](C)C DY500283 [1,1,0,0,0,0|1,1,0]=4 357 B6R0.4 CCNCC(C)C DY564723 [1,1,0,0,0,0|1,0,0]=3 358 B6R0.4 CN(C)CCCBr NO22184 [1,1,0,0,0,0|2,0,0]=4 359 B6R0.4 CN(C)CCCCl NO13505 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.4 CN(C)CCCCl NO14943 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.4 CNCCC(C)C DY543681 [1,1,0,0,0,0|1,0,0]=3 362 B6R0.4 CNCCC(C)C DY553713 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.4 CNCCN(C)C NO11723 [1,1,0,0,0,0|2,0,0]=4 364 B6R0.4 CNCCN(C)C NO15131 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.4 CSCCC(C)=O DY740809 [1,1,0,0,0,0|0,0,2]=4 366 B6R0.4 NCCCC(=O)O NO14998 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.4 O=C(O)CCCBr NO14053 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.5 CC(C)(C)CCO NO21905 [1,1,0,0,0,0|2,0,0]=4 369 B6R0.5 CC(C)(O)CCBr NO15788 [1,1,0,0,0,0|1,0,0]=3 370 B6R0.6 BrCCNCCBr NO11032 [1,1,0,0,0,0|2,0,0]=4 371 B6R0.6 C=CCCCCCl DY427568 [1,1,0,0,0,0|0,0,2]=4 372 B6R0.6 C=CCCCCO NO10397 [1,1,0,0,0,0|0,0,2]=4 373 B6R0.6 CC#CCCCO DY580533 [1,1,0,0,0,0|0,0,2]=4 374 B6R0.6 CCCCON=O DY461106 [1,1,0,0,0,0|2,0,0]=4 375 B6R0.6 CCCCSCC DY740893 [1,1,0,0,0,0|0,0,0]=2 376 B6R0.6 CCCOCCO DY740785 [1,1,0,0,0,0|1,0,0]=3 377 B6R0.6 CNCCCCBr DY741283 [1,1,0,0,0,0|1,0,0]=3 378 B6R0.6 CNCCCCO DY554133 [1,1,0,0,0,0|1,0,0]=3 379 B6R0.6 COCCCCBr NO22933 [1,1,0,0,0,0|1,0,0]=3 380 B6R0.6 COCCCCO DY741295 [1,1,0,0,0,0|1,0,0]=3 381 B6R0.6 COCCCOC DY792147 [1,1,0,0,0,0|1,0,0]=3 382 B6R0.6 ClCCCCCBr DY559653 [1,1,0,0,0,0|1,0,0]=3 383 B6R0.6 ClCCNCCCl NO16038 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.6 FCCCCCBr NO14708 [1,1,0,0,0,0|1,0,0]=3 385 B6R0.6 FCCCCCF DY822300 [1,1,0,0,0,0|1,0,0]=3 386 B6R0.6 N#CCCCCCl NO10359 [1,1,0,0,0,0|1,0,1]=4 387 B6R0.6 NCCCCCN NO19074 [1,1,0,0,0,0|1,0,0]=3 388 B6R0.6 NCCNCCN DY740695 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.6 NCCNCCO DY506670 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.6 O=CCCCCBr DY510224 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.6 OCCCCCCl NO14778 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.6 OCCCCCF DY822292 [1,1,0,0,0,0|1,0,0]=3 393 B6R0.6 OCCCCCO NO20549 [1,1,0,0,0,0|1,0,0]=3 394 B6R0.6 OCCNCCCl DY544797 [1,1,0,0,0,0|2,0,0]=4 395 B6R0.8 CC[Sn](Cl)(Cl)CC DY575727 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.9 C=CC(CC)CO DY822489 [1,1,0,0,0,0|0,0,2]=4 397 B6R0.9 CCC(CN)OC DY610294 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.9 CC[O+](CC)CC DY794781 [1,1,0,0,0,0|2,0,0]=4 399 B8R0.5 CCOC(=O)CC(C)O NO11353 [0,2,0,0,0,0|0,0,2]=4 400 B8R0.5 CCOC(=O)C[C@@H](C)O NO18545 [0,2,0,0,0,0|0,0,2]=4 401 B8R0.16 CCN(CC)CC(C)O DY822860 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,2,0,0,0,0|0,0,2]=4 403 B8R0.19 CCN(C)CC(C)CN DY604863 [0,2,0,0,0,0|2,0,0]=4 404 B8R0.19 CC[C@@H](O)C[C@H](O)CC DY571299 [0,2,0,0,0,0|0,0,0]=2 405 B8R0.19 CC[C@H](N)CC(=O)OC DY628425 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.19 COC(=O)C[C@@H](O)CCl NO18252 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.19 COC(=O)C[C@H](O)CO DY627328 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.24 CC(CP)CC(C)(C)C DY573147 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.24 C[N+](C)(C)CC(O)CCl DY549183 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.1 C#CCCC(=O)CCC DY822712 [0,2,0,0,0,0|0,0,2]=4 411 B8R0.1 CCOC(=O)CCCCl DY822383 [0,2,0,0,0,0|0,0,2]=4 412 B8R0.1 CCOC(=O)CCCO DY111642 [0,2,0,0,0,0|0,0,2]=4 413 B8R0.1 CCOCC(=O)OCC DY461136 [0,2,0,0,0,0|0,0,2]=4 414 B8R0.1 CN(CCO)CCCN DY795333 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.3 CCN(C)C(C)CCN DY604545 [0,2,0,0,0,0|2,0,0]=4 416 B8R0.3 CCNC(=O)[C@@H](N)CC DY116564 [0,2,0,0,0,0|0,0,2]=4 417 B8R0.3 O=CC[C@H](O)[C@H](O)CO NO21863 [0,2,0,0,0,0|1,0,1]=4 418 B8R0.6 O=CCCCC(O)C=O DY822725 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.9 CC(C)NC[C@H](O)CO DY437814 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.11 COC(CCC#N)OC NO18422 [0,2,0,0,0,0|1,0,1]=4 421 B8R0.14 NCCC(O)C(F)(F)F DY561147 [0,2,0,0,0,0|2,0,0]=4 422 B8R0.14 OCC[C@H](O)C(F)(F)F DY625261 [0,2,0,0,0,0|2,0,0]=4 423 B8R0.15 CCCC(CN)N(C)C DY605056 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.15 CCC[C@H](CN)C(=O)O DY701509 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.22 C#CC(OCC)OCC NO11884 [0,2,0,0,0,0|2,0,0]=4 426 B8R0.22 CCOC(C#N)OCC DY563397 [0,2,0,0,0,0|2,0,0]=4 427 B8R0.22 CCOC(CBr)OCC DY20525 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.22 CCOC(CO)OCC NO19208 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.30 CCNC(C)(C)CCO DY525453 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.30 CCOC(F)(F)CNC DY539439 [0,2,0,0,0,0|2,0,0]=4 431 B8R0.31 CCC(O)(CC)CCO DY572211 [0,2,0,0,0,0|1,0,0]=3 432 B6R1.2 BrC1CCNC1 NO15742 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.2 CC1=NCCC1 NO21664 [1,0,0,1,0,0|1,0,1]=4 434 B6R1.2 CC1CCCN1 NO21699 [1,0,0,1,0,0|1,0,0]=3 435 B6R1.2 CC1CCCN1 NO21700 [1,0,0,1,0,0|1,0,0]=3 436 B6R1.2 CC1CCCO1 DY20580 [1,0,0,1,0,0|0,0,0]=2 437 B6R1.2 CC1CCNC1 DY667237 [1,0,0,1,0,0|2,0,0]=4 438 B6R1.2 C[C@@H]1CCCN1 NO18299 [1,0,0,1,0,0|1,0,0]=3 439 B6R1.2 C[C@H]1CCCN1 NO18800 [1,0,0,1,0,0|1,0,0]=3 440 B6R1.2 C[C@H]1CCCN1 NO19735 [1,0,0,1,0,0|1,0,0]=3 441 B6R1.2 FC1CCNC1 NO12894 [1,0,0,1,0,0|2,0,0]=4 442 B6R1.2 F[C@H]1CCNC1 NO14870 [1,0,0,1,0,0|2,0,0]=4 443 B6R1.2 NC1CCNC1 DY572169 [1,0,0,1,0,0|2,0,0]=4 444 B6R1.2 NC1CCOC1 NO12010 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.2 NN1CCCC1 DY564555 [1,0,0,1,0,0|2,0,0]=4 446 B6R1.2 N[C@@H]1CCOC1 DY623409 [1,0,0,1,0,0|2,0,0]=4 447 B6R1.2 N[C@@H]1CCOC1 NO13003 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 N[C@H]1CCNC1 DY508670 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 N[C@H]1CCOC1 DY626689 [1,0,0,1,0,0|2,0,0]=4 450 B6R1.2 N[C@H]1CCOC1 NO20366 [1,0,0,1,0,0|2,0,0]=4 451 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,1,0,0|0,0,2]=4 452 B6R1.2 OC1CC=CC1 DY10342 [1,0,0,1,0,0|0,0,2]=4 453 B6R1.2 O[C@@H]1CCNC1 NO16635 [1,0,0,1,0,0|1,0,0]=3 454 B6R1.2 O[C@@H]1CCNC1 NO16650 [1,0,0,1,0,0|1,0,0]=3 455 B6R1.2 O[C@@H]1CCOC1 NO20284 [1,0,0,1,0,0|1,0,0]=3 456 B6R1.2 O[C@@H]1CNOC1 DY549543 [1,0,0,1,0,0|2,0,0]=4 457 B6R1.2 O[C@H]1CCNC1 NO21757 [1,0,0,1,0,0|1,0,0]=3 458 B6R1.2 SC1CCOC1 DY789441 [1,0,0,1,0,0|1,1,0]=4 459 B6R1.3 ICCC1CC1 DY549405 [1,0,0,1,0,0|2,0,0]=4 460 B6R1.5 CC1CC(N)C1 DY105778 [1,0,0,1,0,0|1,0,0]=3 461 B6R1.5 CC1CC(O)C1 DY539301 [1,0,0,1,0,0|0,0,0]=2 462 B6R1.5 CN1CC(N)C1 DY444125 [1,0,0,1,0,0|2,0,0]=4 463 B6R1.5 NC1CC(N)C1 DY103595 [1,0,0,1,0,0|2,0,0]=4 464 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [1,0,0,1,0,0|1,0,0]=3 465 B6R1.8 COC1CC1N DY503985 [1,0,0,1,0,0|2,0,0]=4 466 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [1,0,0,1,0,0|2,0,0]=4 467 B6R1.8 OCC1C[C@@H]1F DY102848 [1,0,0,1,0,0|2,0,0]=4 468 B6R1.10 CC1(N)COC1 DY444292 [1,0,0,1,0,0|2,0,0]=4 469 B6R1.10 CC1(N)COC1 NO14859 [1,0,0,1,0,0|2,0,0]=4 470 B6R1.10 CC1(N)CSC1 DY113158 [1,0,0,1,0,0|2,0,0]=4 471 B6R1.10 CC1(O)CNC1 NO15502 [1,0,0,1,0,0|1,0,0]=3 472 B6R1.11 CC(C)C1CO1 DY791517 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.11 CC(N)C1CC1 DY528885 [1,0,0,1,0,0|1,0,0]=3 474 B6R1.11 CC(O)C1CC1 DY757429 [1,0,0,1,0,0|0,0,0]=2 475 B6R1.11 C[C@H](N)C1CC1 DY623903 [1,0,0,1,0,0|1,0,0]=3 476 B6R1.11 O=C(O)C1CC1 NO13839 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.11 O=S(O)C1CC1 DY586549 [1,0,0,1,0,0|2,0,0]=4 478 B6R1.11 OB(O)C1CC1 DY20194 [1,0,0,1,0,0|2,0,0]=4 479 B6R1.1 C1CCNCC1 DY822173 [1,0,0,1,0,0|1,0,0]=3 480 B6R1.1 C1CCNNC1 DY586554 [1,0,0,1,0,0|2,0,0]=4 481 B6R1.1 C1CCNNC1 NO17893 [1,0,0,1,0,0|2,0,0]=4 482 B6R1.1 C1CCSCC1 DY822278 [1,0,0,1,0,0|1,0,0]=3 483 B6R1.1 C1CNCOC1 DY524601 [1,0,0,1,0,0|2,0,0]=4 484 B6R1.1 C1COCCN1 DY20726 [1,0,0,1,0,0|2,0,0]=4 485 B6R1.1 C1COCOC1 DY822672 [1,0,0,1,0,0|2,0,0]=4 486 B6R1.1 C1CSCCN1 DY20759 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.4 CC1OCC1N DY732961 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [1,0,0,1,0,0|2,0,0]=4 489 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [1,0,0,1,0,0|2,0,0]=4 490 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [1,0,0,1,0,0|2,0,0]=4 491 B6R1.6 BrCC1CCC1 DY10470 [1,0,0,1,0,0|1,0,0]=3 492 B6R1.6 COC1CNC1 NO17370 [1,0,0,1,0,0|2,0,0]=4 493 B6R1.6 NCC1CCC1 DY554907 [1,0,0,1,0,0|1,0,0]=3 494 B6R1.6 NCC1CCC1 NO11178 [1,0,0,1,0,0|1,0,0]=3 495 B6R1.6 NCC1CCS1 DY585795 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.6 NCC1CNC1 DY508838 [1,0,0,1,0,0|2,0,0]=4 497 B6R1.6 NCC1COC1 DY10517 [1,0,0,1,0,0|2,0,0]=4 498 B6R1.6 NNC1CCC1 DY527943 [1,0,0,1,0,0|2,0,0]=4 499 B6R1.6 OCC1CCO1 NO15009 [1,0,0,1,0,0|2,0,0]=4 500 B6R1.6 OCC1CNC1 NO12891 [1,0,0,1,0,0|2,0,0]=4 501 B6R1.6 OCC1COC1 NO14670 [1,0,0,1,0,0|2,0,0]=4 502 B6R1.6 OC[C@@H]1CCN1 NO15230 [1,0,0,1,0,0|2,0,0]=4 503 B6R1.7 CCC1(N)CC1 DY586551 [1,0,0,1,0,0|1,0,0]=3 504 B6R1.7 NC1(CO)CC1 NO13349 [1,0,0,1,0,0|2,0,0]=4 505 B6R1.7 NCC1(O)CC1 NO20441 [1,0,0,1,0,0|1,0,0]=3 506 B8R1.1 CCN1CC[C@@H](N)C1 DY516273 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.1 CCN1CC[C@@H](N)C1 DY570393 [0,1,0,1,0,0|1,0,0]=3 508 B8R1.1 CN1CC[C@H](CN)C1 DY104144 [0,1,0,1,0,0|2,0,0]=4 509 B8R1.1 CO[C@@H]1C=C[C@@H](O)C1 DY585333 [0,1,0,1,0,0|0,0,2]=4 510 B8R1.1 C[C@@H]1CN[C@H](CO)C1 DY620034 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.1 NC[C@@H]1CC[C@@H](O)C1 DY582081 [0,1,0,1,0,0|0,0,0]=2 512 B8R1.1 OCC1CC(O)CO1 DY759500 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 NO20184 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.1 OC[C@H]1C[C@@H](O)CN1 DY664628 [0,1,0,1,0,0|1,0,0]=3 515 B8R1.4 CC1CCCN(N)C1 DY774663 [0,1,0,1,0,0|2,0,0]=4 516 B8R1.4 CC1CCNC(C)C1 NO21125 [0,1,0,1,0,0|1,0,0]=3 517 B8R1.4 CC1CNCC(C)C1 NO14191 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.4 CC1CNCC(C)N1 NO18625 [0,1,0,1,0,0|2,0,0]=4 519 B8R1.4 CC1CSCC(C)N1 DY738722 [0,1,0,1,0,0|2,0,0]=4 520 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,1,0,1,0,0|0,0,2]=4 521 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,1,0,1,0,0|0,0,2]=4 522 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,1,0,1,0,0|0,0,0]=2 523 B8R1.4 C[C@H]1CNC[C@@H](C)N1 NO21187 [0,1,0,1,0,0|2,0,0]=4 524 B8R1.4 C[C@H]1CNC[C@@H](C)O1 DY459894 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.4 C[C@H]1CNC[C@H](C)N1 DY103637 [0,1,0,1,0,0|2,0,0]=4 526 B8R1.4 C[C@H]1C[C@@H](O)CCN1 DY102289 [0,1,0,1,0,0|0,0,0]=2 527 B8R1.4 NC1CCCC(O)C1 NO17342 [0,1,0,1,0,0|0,0,0]=2 528 B8R1.4 NC1CCCC(O)C1 NO18558 [0,1,0,1,0,0|0,0,0]=2 529 B8R1.4 NN1CCCC(O)C1 DY775186 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.4 N[C@H]1CCC[C@@H](N)C1 DY525135 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.4 N[C@H]1CCC[C@@H](N)C1 DY545481 [0,1,0,1,0,0|1,0,0]=3 532 B8R1.4 N[C@H]1CCC[C@@H](N)C1 NO17066 [0,1,0,1,0,0|1,0,0]=3 533 B8R1.4 N[C@H]1CCC[C@H](F)C1 DY586540 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.4 N[C@H]1CCC[C@H](O)C1 DY513927 [0,1,0,1,0,0|0,0,0]=2 535 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,1,0,1,0,0|1,0,1]=4 536 B8R1.4 O=S1CCCC(Br)C1 DY586414 [0,1,0,1,0,0|1,0,1]=4 537 B8R1.18 CN1CC(N)C(O)C1 DY586575 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 DY586574 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.18 CN1C[C@@H](N)[C@H](O)C1 DY586576 [0,1,0,1,0,0|1,0,0]=3 540 B8R1.18 CN1C[C@H](N)[C@@H](O)C1 DY586572 [0,1,0,1,0,0|1,0,0]=3 541 B8R1.18 CN1C[C@H](N)[C@H](O)C1 DY538791 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.18 CN1C[C@H](N)[C@H](O)C1 DY586573 [0,1,0,1,0,0|1,0,0]=3 543 B8R1.18 CN1C[C@H](N)[C@H](O)C1 DY586625 [0,1,0,1,0,0|1,0,0]=3 544 B8R1.18 CN1C[C@H](O)[C@H](N)C1 DY586571 [0,1,0,1,0,0|1,0,0]=3 545 B8R1.42 O=C(O)CC1(O)CC1 DY580923 [0,1,0,1,0,0|1,0,1]=4 546 B8R1.51 NC1CCC(F)(F)C1 DY102031 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.53 CC1(C)CC(CN)O1 DY115768 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.53 CC1(O)CC(CN)C1 DY104882 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.53 CC1(O)CC(CN)C1 DY583991 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.62 C#CC1(O)CC(N)C1 DY526095 [0,1,0,1,0,0|0,0,2]=4 551 B8R1.62 NC1(CO)CC(F)C1 DY104684 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.2 BrCC1CCCCC1 NO19887 [0,1,0,1,0,0|1,0,0]=3 553 B8R1.2 BrCC1CCNCC1 DY586644 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.2 BrCC1CCOCC1 DY514587 [0,1,0,1,0,0|2,0,0]=4 555 B8R1.2 BrC[C@@H]1COCCO1 DY585231 [0,1,0,1,0,0|1,0,0]=3 556 B8R1.2 Br[Zn]C1CCCCC1 DY121343 [0,1,0,1,0,0|1,0,0]=3 557 B8R1.2 C#CC1CCCOC1 DY104582 [0,1,0,1,0,0|0,0,2]=4 558 B8R1.2 CCC1CCNCC1 DY602027 [0,1,0,1,0,0|1,0,0]=3 559 B8R1.2 CCC1CNCCO1 DY731791 [0,1,0,1,0,0|0,0,0]=2 560 B8R1.2 CCN1CCNCC1 NO20680 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.2 CC[C@@H]1CCCCN1 DY622095 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.2 CC[C@@H]1CNCCO1 DY444035 [0,1,0,1,0,0|0,0,0]=2 563 B8R1.2 CC[C@@H]1COCCN1 DY20812 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.2 CC[C@H]1CCCCN1 DY624979 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.2 CNC1CCC=CO1 DY795717 [0,1,0,1,0,0|1,0,1]=4 566 B8R1.2 CNC1CCNCC1 DY512505 [0,1,0,1,0,0|2,0,0]=4 567 B8R1.2 CNC1CCNCC1 DY641666 [0,1,0,1,0,0|2,0,0]=4 568 B8R1.2 CNC1CCOCC1 NO15192 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.2 COC1=CCCCC1 DY789345 [0,1,0,1,0,0|0,0,2]=4 570 B8R1.2 COC1=NCCCC1 DY711079 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.2 COC1CCC=CO1 DY822724 [0,1,0,1,0,0|1,0,1]=4 572 B8R1.2 ClCC1CCCCC1 DY788085 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.2 ClCC1CCCOC1 DY585697 [0,1,0,1,0,0|1,0,0]=3 574 B8R1.2 FC[C@@H]1CCCCN1 DY586647 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.2 ICC1CCCCN1 DY635594 [0,1,0,1,0,0|2,0,0]=4 576 B8R1.2 N#CC1CCOCC1 NO12562 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.2 N#CC1CNCCO1 DY442480 [0,1,0,1,0,0|1,0,1]=4 578 B8R1.2 N#CN1CCCCC1 DY775156 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.2 N#C[C@H]1CNCCO1 DY732649 [0,1,0,1,0,0|1,0,1]=4 580 B8R1.2 NCC1CCCCC1 DY20908 [0,1,0,1,0,0|1,0,0]=3 581 B8R1.2 NCC1CCCNC1 DY568713 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.2 NCC1CCCNC1 DY641787 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.2 NCC1CCCOC1 NO18439 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.2 NCC1CCOCC1 NO18584 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.2 NCC1CCSCC1 DY102976 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.2 NCC1CNCCN1 DY517005 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.2 NCC1COCCN1 DY580905 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.2 NC[C@H]1CCCOC1 DY105501 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.2 NNC1CCCCC1 DY822741 [0,1,0,1,0,0|1,0,0]=3 590 B8R1.2 NNC1CCNCC1 DY638690 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.2 NNC1CCOCC1 NO13041 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.2 NNC1CCOCC1 NO20368 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.2 NOC1CCCCO1 NO17026 [0,1,0,1,0,0|1,0,0]=3 594 B8R1.2 O=CC1CCCCC1 DY20143 [0,1,0,1,0,0|0,0,1]=3 595 B8R1.2 O=CC1CCCOC1 DY442323 [0,1,0,1,0,0|1,0,1]=4 596 B8R1.2 O=CC1CCCSC1 DY563535 [0,1,0,1,0,0|1,0,1]=4 597 B8R1.2 O=C[C@@H]1CCCOC1 DY585694 [0,1,0,1,0,0|1,0,1]=4 598 B8R1.2 O=C[C@H]1CCCOC1 DY585690 [0,1,0,1,0,0|1,0,1]=4 599 B8R1.2 OCC1CCC=CO1 DY20505 [0,1,0,1,0,0|1,0,1]=4 600 B8R1.2 OCC1CCCCC1 DY20144 [0,1,0,1,0,0|0,0,0]=2 601 B8R1.2 OCC1CCCCN1 NO21780 [0,1,0,1,0,0|1,0,0]=3 602 B8R1.2 OCC1CCCNC1 NO22817 [0,1,0,1,0,0|1,0,0]=3 603 B8R1.2 OCC1CCNCC1 NO22819 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.2 OCC1CNCCO1 NO15312 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.2 OC[C@@H]1CNCCO1 NO14518 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.2 OC[C@@H]1COCCN1 DY539919 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.2 OC[C@@H]1COCCN1 NO15269 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.2 OC[C@H]1CCCNC1 NO15958 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.2 OC[C@H]1COCCN1 NO15280 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.2 ON=C1CCOCC1 DY563223 [0,1,0,1,0,0|1,0,1]=4 611 B8R1.3 CC1CCC(=O)OC1 DY777526 [0,1,0,1,0,0|0,0,2]=4 612 B8R1.3 CC1CCC(O)CC1 DY562059 [0,1,0,1,0,0|0,0,0]=2 613 B8R1.3 CC1CCN(N)CC1 DY535737 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.3 CN1CCC(=O)CC1 DY634332 [0,1,0,1,0,0|0,0,2]=4 615 B8R1.3 CN1CCC(=O)CC1 NO18410 [0,1,0,1,0,0|0,0,2]=4 616 B8R1.3 CN1CCC(N)CC1 NO18628 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.3 CN1CCC(O)CC1 NO13491 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.3 C[C@H]1CC[C@@H](O)CN1 DY542115 [0,1,0,1,0,0|0,0,0]=2 619 B8R1.3 C[C@H]1CN[C@H](C)CN1 NO14078 [0,1,0,1,0,0|2,0,0]=4 620 B8R1.3 C[C@H]1CO[C@@H](C)CN1 DY107002 [0,1,0,1,0,0|2,0,0]=4 621 B8R1.3 C[C@H]1CO[C@H](C)CN1 DY620618 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.3 NC1CCC(=O)CC1 NO22583 [0,1,0,1,0,0|0,0,2]=4 623 B8R1.3 NC1CCC(O)CC1 DY585958 [0,1,0,1,0,0|0,0,0]=2 624 B8R1.3 NC1CCC(O)CC1 NO18581 [0,1,0,1,0,0|0,0,0]=2 625 B8R1.3 N[C@H]1CC[C@@H](N)CC1 DY20732 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.3 N[C@H]1CC[C@@H](O)CC1 NO15381 [0,1,0,1,0,0|0,0,0]=2 627 B8R1.3 N[C@H]1CC[C@H](N)CC1 NO18629 [0,1,0,1,0,0|1,0,0]=3 628 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO12038 [0,1,0,1,0,0|0,0,0]=2 629 B8R1.3 N[C@H]1CC[C@H](O)CC1 NO18592 [0,1,0,1,0,0|0,0,0]=2 630 B8R1.3 N[C@H]1CC[S@H+]([O-])CC1 DY585300 [0,1,0,1,0,0|1,0,1]=4 631 B8R1.3 O=C1CCC(O)CC1 NO22889 [0,1,0,1,0,0|0,0,1]=3 632 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [0,1,0,1,0,0|1,0,1]=4 633 B8R1.3 O[C@H]1CC[C@@H](F)CC1 DY585400 [0,1,0,1,0,0|0,0,0]=2 634 B8R1.5 BrC1CCCCC1Br NO20488 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.5 Br[C@@H]1CCCC[C@H]1Br DY756619 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.5 CC1CNCCC1O DY549411 [0,1,0,1,0,0|0,0,0]=2 637 B8R1.5 C[C@@H]1COCC[C@@H]1N DY567579 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.5 C[C@H]1CCCC[C@H]1N DY540861 [0,1,0,1,0,0|1,0,0]=3 639 B8R1.5 C[C@H]1CCNC[C@H]1O DY103745 [0,1,0,1,0,0|0,0,0]=2 640 B8R1.5 NC1CCCCC1N DY756925 [0,1,0,1,0,0|1,0,0]=3 641 B8R1.5 NC1CCCCC1N DY822566 [0,1,0,1,0,0|1,0,0]=3 642 B8R1.5 NC1CCCCC1N DY822654 [0,1,0,1,0,0|1,0,0]=3 643 B8R1.5 NC1CCOCC1F DY459065 [0,1,0,1,0,0|2,0,0]=4 644 B8R1.5 N[C@@H]1CCCC[C@@H]1O NO12548 [0,1,0,1,0,0|0,0,0]=2 645 B8R1.5 N[C@@H]1CCCC[C@H]1F DY586539 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.5 N[C@@H]1CCCC[C@H]1N DY507005 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.5 N[C@@H]1CCCC[C@H]1N DY538371 [0,1,0,1,0,0|1,0,0]=3 648 B8R1.5 N[C@@H]1CCCC[C@H]1N DY564255 [0,1,0,1,0,0|1,0,0]=3 649 B8R1.5 N[C@@H]1CCCC[C@H]1O DY584529 [0,1,0,1,0,0|0,0,0]=2 650 B8R1.5 N[C@@H]1CCCC[C@H]1O NO12403 [0,1,0,1,0,0|0,0,0]=2 651 B8R1.5 N[C@@H]1CCCC[C@H]1O NO18590 [0,1,0,1,0,0|0,0,0]=2 652 B8R1.5 N[C@@H]1COCC[C@@H]1O DY529857 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.5 N[C@@H]1COCC[C@H]1O DY519045 [0,1,0,1,0,0|1,0,0]=3 654 B8R1.5 N[C@H]1CCCC[C@@H]1O DY20824 [0,1,0,1,0,0|0,0,0]=2 655 B8R1.5 N[C@H]1CCCC[C@@H]1O NO14928 [0,1,0,1,0,0|0,0,0]=2 656 B8R1.5 N[C@H]1CCCC[C@H]1N DY620142 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.5 N[C@H]1CCCC[C@H]1O DY20710 [0,1,0,1,0,0|0,0,0]=2 658 B8R1.5 N[C@H]1CCCC[C@H]1O NO12547 [0,1,0,1,0,0|0,0,0]=2 659 B8R1.5 N[C@H]1CCOC[C@H]1F DY529293 [0,1,0,1,0,0|2,0,0]=4 660 B8R1.5 N[C@H]1CCOC[C@H]1F DY535515 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.5 N[C@H]1CCOC[C@H]1O DY102103 [0,1,0,1,0,0|1,0,0]=3 662 B8R1.5 N[C@H]1CCOC[C@H]1O DY621122 [0,1,0,1,0,0|1,0,0]=3 663 B8R1.5 O=C1CCCCC1Br DY573183 [0,1,0,1,0,0|0,0,2]=4 664 B8R1.5 O=C1CCCCN1O DY822177 [0,1,0,1,0,0|1,0,1]=4 665 B8R1.5 O=C1NCCCC1O NO19689 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.5 O=C1NCCC[C@H]1O DY541749 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.5 O=C1OCCCC1O NO16147 [0,1,0,1,0,0|1,0,1]=4 668 B8R1.5 OC1CNCCC1F DY638684 [0,1,0,1,0,0|1,0,0]=3 669 B8R1.5 O[C@@H]1CCCC[C@H]1O NO12029 [0,1,0,1,0,0|0,0,0]=2 670 B8R1.5 O[C@@H]1CCNC[C@H]1O DY116420 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.5 O[C@H]1CCNC[C@H]1F DY586636 [0,1,0,1,0,0|1,0,0]=3 672 B8R1.5 O[C@H]1CNCC[C@H]1F DY621098 [0,1,0,1,0,0|1,0,0]=3 673 B8R1.10 NCCCC1CNC1 DY586086 [0,1,0,1,0,0|2,0,0]=4 674 B8R1.10 OCCCC1COC1 DY732715 [0,1,0,1,0,0|2,0,0]=4 675 B8R1.22 CC1CCOCCN1 DY685698 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.22 FC1CCCCNC1 DY685529 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.22 NC1CCCCNC1 NO18624 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.22 NC1CNCCOC1 DY770733 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.22 O=C1CCCCCC1 DY461238 [0,1,0,1,0,0|0,0,2]=4 680 B8R1.22 O=C1CCCNCC1 NO19096 [0,1,0,1,0,0|0,0,2]=4 681 B8R1.22 O[C@H]1CCCCNC1 DY625519 [0,1,0,1,0,0|0,0,0]=2 682 B8R1.22 O[C@H]1CCCOCC1 DY770757 [0,1,0,1,0,0|0,0,0]=2 683 B8R1.38 CCC(=O)C1COC1 DY526161 [0,1,0,1,0,0|0,0,2]=4 684 B8R1.38 CCC(O)C1COC1 DY526581 [0,1,0,1,0,0|0,0,0]=2 685 B8R1.47 CCN1CC(CO)C1 DY585829 [0,1,0,1,0,0|2,0,0]=4 686 B8R1.47 CO[C@H]1C[C@@H](CN)C1 DY538389 [0,1,0,1,0,0|2,0,0]=4 687 B8R1.50 CN1CC[C@@H](O)C1=O DY563481 [0,1,0,1,0,0|1,0,1]=4 688 B8R1.50 N[C@@H]1CC[C@H](O)[C@@H]1O DY608362 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.52 CC1(CBr)CCOC1 DY104228 [0,1,0,1,0,0|2,0,0]=4 690 B8R1.52 CC1(CN)CCCC1 DY585763 [0,1,0,1,0,0|2,0,0]=4 691 B8R1.52 CC1(CN)CCNC1 DY529341 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.52 CC1(CN)CCOC1 DY103499 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.52 CC1(CO)CCCO1 DY585353 [0,1,0,1,0,0|1,0,0]=3 694 B8R1.52 CCC1(C)CCNC1 DY550311 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.52 CCC1(C)CCNC1 DY585216 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.52 CCC1(N)CCCC1 DY603592 [0,1,0,1,0,0|1,0,0]=3 697 B8R1.52 NC1(CO)CCOC1 DY103469 [0,1,0,1,0,0|2,0,0]=4 698 B8R1.52 NCC1(F)CCCC1 DY584015 [0,1,0,1,0,0|2,0,0]=4 699 B8R1.52 NCC1(O)CCCC1 NO15390 [0,1,0,1,0,0|1,0,0]=3 700 B8R1.52 OC1(CF)CCNC1 DY586652 [0,1,0,1,0,0|1,0,0]=3 701 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,1,0,1,0,0|1,0,1]=4 703 B8R1.7 CC(=O)C1CCCO1 DY586599 [0,1,0,1,0,0|0,0,1]=3 704 B8R1.7 CC(=O)[C@H]1CCCN1 DY586041 [0,1,0,1,0,0|1,0,1]=4 705 B8R1.7 CC(=O)[C@H]1CCCO1 DY586598 [0,1,0,1,0,0|0,0,1]=3 706 B8R1.7 CC(N)C1CCCO1 DY580113 [0,1,0,1,0,0|0,0,0]=2 707 B8R1.7 CC(O)C1CCCC1 DY757207 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.7 FC(F)[C@H]1CCCN1 DY621939 [0,1,0,1,0,0|2,0,0]=4 709 B8R1.7 O=C(O)C1CCCO1 DY20393 [0,1,0,1,0,0|1,0,1]=4 710 B8R1.7 O=C(O)[C@@H]1CCCO1 NO18232 [0,1,0,1,0,0|1,0,1]=4 711 B8R1.7 O=C(O)[C@H]1CCCO1 NO16192 [0,1,0,1,0,0|1,0,1]=4 712 B8R1.19 CC1(C)CCCC1N DY540435 [0,1,0,1,0,0|1,0,0]=3 713 B8R1.19 N[C@@H]1CCCC1(F)F DY586242 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.19 N[C@H]1CCCC1(F)F DY586241 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.19 OC1CCCC1(F)F DY586464 [0,1,0,1,0,0|1,0,0]=3 716 B8R1.23 CC(N)[C@H]1C[C@@H](O)C1 DY756223 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.27 CCOC1CC1(C)C DY788847 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.37 CCCC(=O)N1CC1 DY743815 [0,1,0,1,0,0|0,0,2]=4 719 B8R1.37 CCOC(=N)C1CC1 DY757813 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.78 CC(C)C1(N)COC1 DY732967 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.6 CN1CC(CCBr)C1 DY585804 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.6 NCC[C@H]1C[C@@H](O)C1 DY608447 [0,1,0,1,0,0|2,0,0]=4 724 B8R1.8 BrCCC1OCCO1 NO18251 [0,1,0,1,0,0|1,0,0]=3 725 B8R1.8 CNCC1CCOC1 DY537651 [0,1,0,1,0,0|1,0,0]=3 726 B8R1.8 CNCC1CCOC1 DY568737 [0,1,0,1,0,0|1,0,0]=3 727 B8R1.8 COCC1CCCN1 DY571095 [0,1,0,1,0,0|1,0,0]=3 728 B8R1.8 COC[C@@H]1CCCN1 NO20310 [0,1,0,1,0,0|1,0,0]=3 729 B8R1.8 COC[C@H]1CCNC1 DY522807 [0,1,0,1,0,0|2,0,0]=4 730 B8R1.8 CSCC1CCNC1 DY585729 [0,1,0,1,0,0|2,0,0]=4 731 B8R1.8 ClCCN1CCCC1 DY665330 [0,1,0,1,0,0|2,0,0]=4 732 B8R1.8 ClCCN1CCCC1 DY738470 [0,1,0,1,0,0|2,0,0]=4 733 B8R1.8 ClCCN1CCCC1 NO15769 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.8 N#CCC1CCCO1 DY759470 [0,1,0,1,0,0|0,0,1]=3 735 B8R1.8 NCCC1OCCO1 DY758978 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.8 OCCC1CCNC1 DY666359 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.11 CN1CCCC1CO NO14186 [0,1,0,1,0,0|1,0,0]=3 738 B8R1.11 CN1CCC[C@H]1CCl DY664952 [0,1,0,1,0,0|2,0,0]=4 739 B8R1.11 CN1CCC[C@H]1CO NO22816 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.11 CO[C@@H]1COC[C@H]1N DY535695 [0,1,0,1,0,0|2,0,0]=4 741 B8R1.11 CO[C@H]1CNC[C@H]1O DY555813 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.11 C[C@@H]1NCC[C@@H]1CO DY664706 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.11 N#C[C@@H]1CCC[C@@H]1N DY104396 [0,1,0,1,0,0|1,0,1]=4 744 B8R1.11 NC[C@H]1COC[C@H]1O DY529311 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.11 NN1CCC[C@H]1CO DY623433 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.66 COCC1(F)CNC1 DY537567 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.66 N#CCC1(O)CNC1 DY585822 [0,1,0,1,0,0|1,0,1]=4 748 B8R1.66 OCCC1(O)COC1 DY530925 [0,1,0,1,0,0|1,0,0]=3 749 B8R1.39 NC[C@@H](F)C1(O)CC1 DY586264 [0,1,0,1,0,0|1,0,0]=3 750 B8R1.72 CC1(Br)CCCCC1 DY584406 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.72 CC1(C)CCCNC1 DY510344 [0,1,0,1,0,0|2,0,0]=4 752 B8R1.72 CC1(C)CCNCC1 DY586635 [0,1,0,1,0,0|2,0,0]=4 753 B8R1.72 CC1(C)CCNCC1 NO13819 [0,1,0,1,0,0|2,0,0]=4 754 B8R1.72 CC1(N)CCOCC1 NO14346 [0,1,0,1,0,0|2,0,0]=4 755 B8R1.72 CC1(O)CCOCC1 NO12641 [0,1,0,1,0,0|1,0,0]=3 756 B8R1.72 FC1(Br)CCCCC1 DY797283 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.72 FC1(F)CCCNC1 NO21902 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.72 FC1(F)CCNCC1 NO18259 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.72 OC1(O)CCNCC1 NO10106 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.82 CNCC1(CO)CC1 DY604261 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.82 N#CC1(CCO)CC1 DY534495 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.60 NCC1(CO)COC1 NO22100 [0,1,0,1,0,0|2,0,0]=4 763 B8R1.60 OCC1(CBr)COC1 NO22180 [0,1,0,1,0,0|2,0,0]=4 764 B8R2.11 OC1C2CNCC12 DY686011 [0,0,0,2,0,0|1,0,0]=3 765 B8R2.11 OC1C2CNCC12 DY738446 [0,0,0,2,0,0|1,0,0]=3 766 B8R2.34 C1=CC2CCC1C2 NO11805 [0,0,0,2,0,0|1,0,1]=4 767 B8R2.34 C1CC2CCC1C2 DY753433 [0,0,0,2,0,0|1,0,0]=3 768 B8R2.34 C1CC2CCC1N2 NO10780 [0,0,0,2,0,0|1,0,0]=3 769 B8R2.34 C1C[C@H]2CC1CN2 DY620286 [0,0,0,2,0,0|1,0,0]=3 770 B8R2.34 C1NC2CNC1C2 DY566511 [0,0,0,2,0,0|2,0,0]=4 771 B8R2.34 C1NC2CNC1C2 DY685187 [0,0,0,2,0,0|2,0,0]=4 772 B8R2.34 C1O[C@@H]2CN[C@H]1C2 NO12565 [0,0,0,2,0,0|1,0,0]=3 773 B8R2.34 C1O[C@H]2CN[C@@H]1C2 DY103903 [0,0,0,2,0,0|1,0,0]=3 774 B8R2.55 C1CC2(CC2)CN1 DY534537 [0,0,0,2,0,0|2,0,0]=4 775 B8R2.1 C1CC1C2CNC2 DY585799 [0,0,0,2,0,0|2,0,0]=4 776 B8R2.1 C1C[C@H](C2CC2)N1 DY622089 [0,0,0,2,0,0|1,0,0]=3 777 B8R2.42 C1CC2(C1)CCN2 DY102079 [0,0,0,2,0,0|1,0,0]=3 778 B8R2.42 C1CC2(CNC2)O1 DY102331 [0,0,0,2,0,0|1,0,0]=3 779 B8R2.41 OC1(C2CC2)CC1 DY559503 [0,0,0,2,0,0|0,0,0]=2