0 B5R0.2 C=CCCCBr DY460284 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.2 CCC#CCC DY740797 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.2 CCCCCBr NO20657 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.2 CCCC[Mg]Cl DY567561 [0,0,0,0,0,0|3,0,0]=3 4 B5R0.2 CCOCCBr NO21396 [0,0,0,0,0,0|2,1,0]=3 5 B5R0.2 CCO\C=C\Br DY456448 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.2 CC\C=C\CO DY527871 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.2 CNCCC#N NO22369 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.2 CNCCCO NO14200 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 CNCCNC NO15116 [0,0,0,0,0,0|3,0,0]=3 10 B5R0.2 COCCC#N NO22345 [0,0,0,0,0,0|2,1,1]=4 11 B5R0.2 COCCCBr NO20649 [0,0,0,0,0,0|2,1,0]=3 12 B5R0.2 COCCCO NO20039 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.2 COCCOC DY546591 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.2 CSCCCO DY557199 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.2 C\C=C\CCO DY799773 [0,0,0,0,0,0|3,0,0]=3 16 B5R0.2 FCCCCF DY822299 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.2 N#CCCCN DY548775 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.2 NCCCCBr NO14979 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.2 NCCCCN NO19906 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.2 OCCCCF DY822291 [0,0,0,0,0,0|4,0,0]=4 21 B4R0.2 BrCCCBr DY459264 [1,0,0,0,0,0|3,0,0]=4 22 B4R0.2 C#CCCI DY554547 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.2 C#CCCO DY580491 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|2,0,1]=4 25 B4R0.2 CCCCBr DY460620 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.2 CCNCC NO11240 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 CNCC#N NO19888 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.2 CNCCBr DY584482 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 CNCCO NO20910 [1,0,0,0,0,0|2,0,0]=3 30 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|1,1,1]=4 31 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|1,1,0]=3 32 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|1,1,0]=3 33 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|1,1,0]=3 34 B4R0.2 CSCSC DY528795 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.2 FCCCF DY822298 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 ICCCI DY564171 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.2 N#CCCBr NO22188 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.2 N#CCCN DY526113 [1,0,0,0,0,0|3,0,0]=4 39 B4R0.2 NCCCBr NO22190 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.2 OCCCF DY822290 [1,0,0,0,0,0|2,1,0]=4 41 B4R0.2 SCCCS DY740347 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.2 [Li]CCCC DY790335 [1,0,0,0,0,0|2,0,0]=3 43 B6R0.1 CCCC(=O)NN NO22544 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.1 CCCC(C)CBr DY112368 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.1 CCCC(O)CO NO20495 [0,1,0,0,0,0|3,0,0]=4 46 B6R0.1 CCOC(=O)CC DY460554 [0,1,0,0,0,0|1,1,1]=4 47 B6R0.1 COC(=N)CCCl DY799605 [0,1,0,0,0,0|2,1,0]=4 48 B6R0.1 COC(=O)CCCl DY741043 [0,1,0,0,0,0|2,1,0]=4 49 B6R0.1 COC(=O)CCN NO22266 [0,1,0,0,0,0|2,1,0]=4 50 B6R0.1 COC(=O)CSC DY460536 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.4 C=COCC(C)C DY822723 [0,1,0,0,0,0|1,1,1]=4 52 B6R0.4 CC(=O)CCCBr NO10305 [0,1,0,0,0,0|3,0,0]=4 53 B6R0.4 CC(=O)CCCCl NO10334 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.4 CC(=O)NCCCl DY33011 [0,1,0,0,0,0|3,0,0]=4 55 B6R0.4 CC(C)CCCBr DY740443 [0,1,0,0,0,0|3,0,0]=4 56 B6R0.4 CC(C)NCCN DY20461 [0,1,0,0,0,0|3,0,0]=4 57 B6R0.4 CCCCC(C)O DY740779 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.4 CCCC[SiH](C)C DY500283 [0,1,0,0,0,0|2,0,0]=3 59 B6R0.4 CCNCC(C)C DY564723 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.4 CC\C=C\C(C)=O DY822743 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.4 CN(C)CCCBr NO22184 [0,1,0,0,0,0|3,0,0]=4 62 B6R0.4 CN(C)CCCCl NO13505 [0,1,0,0,0,0|3,0,0]=4 63 B6R0.4 CN(C)CCCCl NO14943 [0,1,0,0,0,0|3,0,0]=4 64 B6R0.4 CNCCC(C)C DY543681 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.4 CNCCC(C)C DY553713 [0,1,0,0,0,0|2,0,0]=3 66 B6R0.4 CNCCN(C)C NO11723 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.4 CNCCN(C)C NO15131 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.4 CSCCC(C)=O DY740809 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.6 BrCCNCCBr NO11032 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.6 C=CCCCCCl DY427568 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.6 C=CCCCCO NO10397 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.6 CC#CCCCO DY580533 [0,1,0,0,0,0|2,0,0]=3 73 B6R0.6 CCCCON=O DY461106 [0,1,0,0,0,0|2,1,0]=4 74 B6R0.6 CCCCSCC DY740893 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.6 CCCOCCO DY740785 [0,1,0,0,0,0|1,1,0]=3 76 B6R0.6 CNCCCCBr DY741283 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.6 CNCCCCO DY554133 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.6 COCCCCBr NO22933 [0,1,0,0,0,0|1,1,0]=3 79 B6R0.6 COCCCCO DY741295 [0,1,0,0,0,0|1,1,0]=3 80 B6R0.6 COCCCOC DY792147 [0,1,0,0,0,0|1,1,0]=3 81 B6R0.6 ClCCCCCBr DY559653 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.6 ClCCNCCCl NO16038 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.6 FCCCCCBr NO14708 [0,1,0,0,0,0|3,0,0]=4 84 B6R0.6 FCCCCCF DY822300 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.6 N#CCCCCCl NO10359 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.6 NCCCCCN NO19074 [0,1,0,0,0,0|3,0,0]=4 87 B6R0.6 NCCNCCN DY740695 [0,1,0,0,0,0|3,0,0]=4 88 B6R0.6 NCCNCCO DY506670 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.6 O=CCCCCBr DY510224 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.6 OCCCCCCl NO14778 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.6 OCCCCCF DY822292 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.6 OCCCCCO NO20549 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.6 OCCNCCCl DY544797 [0,1,0,0,0,0|3,0,0]=4 94 B6R1.1 C1=CCNCC1 DY444071 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.1 C1=CCSCC1 DY427366 [0,0,0,1,0,0|1,0,2]=4 96 B6R1.1 C1=COCCC1 DY20500 [0,0,0,1,0,0|1,1,1]=4 97 B6R1.1 C1CCNCC1 DY822173 [0,0,0,1,0,0|2,0,0]=3 98 B6R1.1 C1CCNNC1 DY586554 [0,0,0,1,0,0|2,0,0]=3 99 B6R1.1 C1CCNNC1 NO17893 [0,0,0,1,0,0|2,0,0]=3 100 B6R1.1 C1CCSCC1 DY822278 [0,0,0,1,0,0|1,0,0]=2 101 B6R1.1 C1CNCOC1 DY524601 [0,0,0,1,0,0|2,1,0]=4 102 B6R1.1 C1COCCN1 DY20726 [0,0,0,1,0,0|2,1,0]=4 103 B6R1.1 C1COCOC1 DY822672 [0,0,0,1,0,0|2,1,0]=4 104 B6R1.1 C1CSCCN1 DY20759 [0,0,0,1,0,0|2,0,0]=3 105 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,1,0,0|3,0,0]=4 106 B6R1.2 C=C1CCSC1 DY523665 [0,0,0,1,0,0|1,0,2]=4 107 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,1,0,0|2,0,0]=3 108 B6R1.2 CC1CCCN1 NO21699 [0,0,0,1,0,0|2,0,0]=3 109 B6R1.2 CC1CCCN1 NO21700 [0,0,0,1,0,0|2,0,0]=3 110 B6R1.2 CC1CCCO1 DY20580 [0,0,0,1,0,0|1,1,0]=3 111 B6R1.2 CC1CCNC1 DY667237 [0,0,0,1,0,0|2,0,0]=3 112 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,0,0,1,0,0|2,0,0]=3 113 B6R1.2 C[C@H]1CCCN1 NO18800 [0,0,0,1,0,0|2,0,0]=3 114 B6R1.2 C[C@H]1CCCN1 NO19735 [0,0,0,1,0,0|2,0,0]=3 115 B6R1.2 FC1CCNC1 NO12894 [0,0,0,1,0,0|3,0,0]=4 116 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,1,0,0|3,0,0]=4 117 B6R1.2 N=C1CCCS1 DY556065 [0,0,0,1,0,0|2,0,0]=3 118 B6R1.2 NC1=NCCC1 NO19310 [0,0,0,1,0,0|3,0,0]=4 119 B6R1.2 NC1CC=CC1 NO19415 [0,0,0,1,0,0|3,0,0]=4 120 B6R1.2 NC1CCNC1 DY572169 [0,0,0,1,0,0|3,0,0]=4 121 B6R1.2 NC1CCOC1 NO12010 [0,0,0,1,0,0|2,1,0]=4 122 B6R1.2 NN1CCCC1 DY564555 [0,0,0,1,0,0|3,0,0]=4 123 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,0,0,1,0,0|2,1,0]=4 124 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,0,0,1,0,0|2,1,0]=4 125 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,1,0,0|3,0,0]=4 126 B6R1.2 N[C@H]1CCOC1 DY626689 [0,0,0,1,0,0|2,1,0]=4 127 B6R1.2 N[C@H]1CCOC1 NO20366 [0,0,0,1,0,0|2,1,0]=4 128 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,1,0,0|3,0,0]=4 129 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 OC1CC=CC1 DY10342 [0,0,0,1,0,0|3,0,0]=4 131 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,1,0,0|3,0,0]=4 132 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,1,0,0|3,0,0]=4 133 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,1,0,0|2,1,0]=4 134 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,0,0,1,0,0|2,1,0]=4 135 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,1,0,0|3,0,0]=4 136 B6R1.2 SC1CCOC1 DY789441 [0,0,0,1,0,0|2,1,0]=4 137 B6R1.3 ICCC1CC1 DY549405 [0,0,0,1,0,0|3,0,0]=4 138 B6R1.3 N#CCC1CC1 DY433947 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.3 NNCC1CC1 DY509474 [0,0,0,1,0,0|3,0,0]=4 140 B6R1.3 NNCC1CC1 DY586553 [0,0,0,1,0,0|3,0,0]=4 141 B6R1.3 OCCN1CC1 DY505047 [0,0,0,1,0,0|3,0,0]=4 142 B6R1.4 CC1OCC1N DY732961 [0,0,0,1,0,0|2,1,0]=4 143 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [0,0,0,1,0,0|3,0,0]=4 144 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [0,0,0,1,0,0|2,1,0]=4 145 B6R1.6 BrCC1CCC1 DY10470 [0,0,0,1,0,0|3,0,0]=4 146 B6R1.6 COC1CNC1 NO17370 [0,0,0,1,0,0|2,1,0]=4 147 B6R1.6 NCC1CCC1 DY554907 [0,0,0,1,0,0|3,0,0]=4 148 B6R1.6 NCC1CCC1 NO11178 [0,0,0,1,0,0|3,0,0]=4 149 B6R1.6 NCC1CCS1 DY585795 [0,0,0,1,0,0|2,0,0]=3 150 B6R1.6 NCC1CNC1 DY508838 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.6 NCC1COC1 DY10517 [0,0,0,1,0,0|2,1,0]=4 152 B6R1.6 NNC1CCC1 DY527943 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.6 OCC1CCO1 NO15009 [0,0,0,1,0,0|2,1,0]=4 154 B6R1.6 OCC1CNC1 NO12891 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.6 OCC1COC1 NO14670 [0,0,0,1,0,0|2,1,0]=4 156 B6R1.6 OC[C@@H]1CCN1 NO15230 [0,0,0,1,0,0|3,0,0]=4 157 B6R1.8 COC1CC1N DY503985 [0,0,0,1,0,0|2,1,0]=4 158 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|1,0,0]=3 159 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|2,0,0]=4 160 B3R0.1 CNOC NO13986 [2,0,0,0,0,0|1,1,0]=4 161 B3R0.1 CSCCl DY584302 [2,0,0,0,0,0|1,0,0]=3 162 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|2,0,0]=4 163 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|2,0,0]=4 164 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|2,0,0]=4 165 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|2,0,0]=4 166 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|2,0,0]=4 167 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|2,0,0]=4 168 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|1,0,0]=3 169 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|1,1,0]=4 170 B3R0.1 SCCS DY20652 [2,0,0,0,0,0|1,0,0]=3 171 B5R0.1 C=C(C)CCBr NO14513 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.1 CC(C)CC=O NO11530 [1,1,0,0,0,0|1,1,0]=4 173 B5R0.1 CC(C)CCBr DY460632 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.1 CC(N)CCO NO22096 [1,1,0,0,0,0|1,1,0]=4 175 B5R0.1 CC(O)CON NO17735 [1,1,0,0,0,0|1,1,0]=4 176 B5R0.1 CCCB(O)O NO14802 [1,1,0,0,0,0|1,1,0]=4 177 B5R0.1 CCCC(=O)[O-] DY822775 [1,1,0,0,0,0|1,1,0]=4 178 B5R0.1 CCCC(C)=O NO21731 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.1 CCCC(C)O DY741013 [1,1,0,0,0,0|1,0,0]=3 180 B5R0.1 CCNC(C)=O DY564051 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.1 CCOC(C)=N DY500026 [1,1,0,0,0,0|1,1,0]=4 182 B5R0.1 CCSC(=N)N DY505011 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.1 CN(C)CCBr NO10949 [1,1,0,0,0,0|2,0,0]=4 184 B5R0.1 CN(C)CCCl NO14471 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.1 CN(C)CCN NO18603 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.1 CN(C)CCO NO11733 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.1 COCC(C)O NO20741 [1,1,0,0,0,0|0,1,0]=3 188 B5R0.1 COC[C@@H](C)O NO20249 [1,1,0,0,0,0|0,1,0]=3 189 B5R0.1 COC[C@H](C)N DY623421 [1,1,0,0,0,0|0,1,0]=3 190 B5R0.1 COC[C@H](C)O NO20309 [1,1,0,0,0,0|0,1,0]=3 191 B5R0.1 CSCC(=N)N DY504363 [1,1,0,0,0,0|1,0,1]=4 192 B5R0.1 CSCC(=O)O DY543879 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.1 CSCC(N)=O NO12608 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.1 C[C@@H](N)CCO NO14355 [1,1,0,0,0,0|1,1,0]=4 195 B5R0.1 C[C@H](N)CCO DY625189 [1,1,0,0,0,0|1,1,0]=4 196 B5R0.1 C[C@H](N)CCO NO14356 [1,1,0,0,0,0|1,1,0]=4 197 B5R0.1 C[C@H](O)CC#N DY625225 [1,1,0,0,0,0|2,0,0]=4 198 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.3 CCC(=O)OC DY460566 [1,1,0,0,0,0|0,1,1]=4 200 B5R0.3 CCC(Br)C#N DY789951 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|1,1,0]=4 202 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|1,1,0]=4 203 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|1,1,0]=4 205 B5R0.3 CCN(O)CC DY551655 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|1,1,0]=4 207 B5R0.3 CC[C@H](C)C#N DY822231 [1,1,0,0,0,0|2,0,0]=4 208 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|1,1,0]=4 209 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|1,1,0]=4 210 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|1,1,0]=4 211 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|1,1,0]=4 212 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|1,1,0]=4 213 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,2,0,0,0,0|1,1,0]=4 214 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,2,0,0,0,0|1,1,0]=4 215 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,2,0,0,0,0|1,1,0]=4 216 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,2,0,0,0,0|1,1,0]=4 217 B7R0.3 CCCCC(O)CO DY567525 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.3 CCCOC(C)CN DY605531 [0,2,0,0,0,0|1,1,0]=4 219 B7R0.3 CCN(C)CCCO DY604490 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.5 CCCC(=O)N(C)C DY584357 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.5 CCCC(C)C(C)=O DY740965 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.7 COCC(N)COC NO21215 [0,2,0,0,0,0|1,1,0]=4 223 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,2,0,0,0,0|1,1,0]=4 224 B7R0.12 CCOC(CC)CN DY605537 [0,2,0,0,0,0|1,1,0]=4 225 B7R0.4 CC(=O)CCCCBr NO10627 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.4 CC(C)OCCCN DY546693 [0,2,0,0,0,0|1,1,0]=4 227 B7R0.4 CC(O)COCCN DY560097 [0,2,0,0,0,0|1,1,0]=4 228 B7R0.4 CCCCCC(C)O NO21570 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.4 CCCSCC(N)=O DY742801 [0,2,0,0,0,0|1,0,1]=4 230 B7R0.4 CN(C)CCCCCl DY551337 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.4 CN(C)CCCCO NO22813 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.4 CNCCCN(C)C DY584479 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.6 CC(Br)CCC(C)Br DY793473 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.8 CC(C)(C)SCCN DY796767 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.1 BrCCCCCCBr NO20550 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.1 C#CCCCCCC DY740767 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.1 CCCOCCCN DY740653 [0,2,0,0,0,0|1,1,0]=4 240 B7R0.1 COCCOCCBr DY559431 [0,2,0,0,0,0|1,1,0]=4 241 B7R0.1 COCCOCCCl DY740401 [0,2,0,0,0,0|1,1,0]=4 242 B7R0.1 ClCCCCCCI DY550149 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.1 FCCCCCCF DY822301 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.1 N#CCCSCCO DY791895 [0,2,0,0,0,0|1,0,1]=4 245 B7R0.1 NCCCCCCN DY740617 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.1 NCCCNCCBr NO13982 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.1 NCCSSCCN DY557499 [0,2,0,0,0,0|1,0,0]=3 248 B7R0.1 NCCSSCCN NO11190 [0,2,0,0,0,0|1,0,0]=3 249 B7R0.1 OCCCCCCBr NO14335 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.1 OCCCCCCF DY822293 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.1 OCCOCCCCl DY740305 [0,2,0,0,0,0|1,1,0]=4 252 B7R0.1 SCCCCCCS DY741367 [0,2,0,0,0,0|2,0,0]=4 253 B5R1.1 C1CNNC1 NO16750 [1,0,0,1,0,0|2,0,0]=4 254 B5R1.1 C1COCO1 DY822673 [1,0,0,1,0,0|1,1,0]=4 255 B5R1.2 BrC1COC1 DY425330 [1,0,0,1,0,0|1,1,0]=4 256 B5R1.2 CC1CNC1 NO13089 [1,0,0,1,0,0|1,0,0]=3 257 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|2,0,0]=4 258 B5R1.2 ClC1CCC1 DY756391 [1,0,0,1,0,0|2,0,0]=4 259 B5R1.2 ClC1CNC1 DY586642 [1,0,0,1,0,0|2,0,0]=4 260 B5R1.2 FC1CNC1 NO22297 [1,0,0,1,0,0|2,0,0]=4 261 B5R1.2 IC1CNC1 DY444286 [1,0,0,1,0,0|2,0,0]=4 262 B5R1.2 IC1COC1 DY10503 [1,0,0,1,0,0|1,1,0]=4 263 B5R1.2 NC1COC1 NO22388 [1,0,0,1,0,0|1,1,0]=4 264 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|1,1,0]=4 265 B5R1.2 O=C1CSC1 NO13345 [1,0,0,1,0,0|1,0,1]=4 266 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|1,1,0]=4 267 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|2,0,0]=4 268 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|1,1,0]=4 269 B5R1.3 BrCC1CC1 DY10481 [1,0,0,1,0,0|2,0,0]=4 270 B5R1.3 BrCC1CO1 DY822350 [1,0,0,1,0,0|1,1,0]=4 271 B5R1.3 BrC[C@H]1CO1 DY822260 [1,0,0,1,0,0|1,1,0]=4 272 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|0,1,0]=3 273 B5R1.3 CNC1CC1 NO13160 [1,0,0,1,0,0|1,0,0]=3 274 B5R1.3 ClCC1CC1 NO19956 [1,0,0,1,0,0|2,0,0]=4 275 B5R1.3 ClC[C@@H]1CO1 DY20322 [1,0,0,1,0,0|1,1,0]=4 276 B5R1.3 ClC[C@H]1CO1 DY557877 [1,0,0,1,0,0|1,1,0]=4 277 B5R1.3 NCC1CC1 NO18907 [1,0,0,1,0,0|2,0,0]=4 278 B5R1.3 NNC1CC1 NO15677 [1,0,0,1,0,0|2,0,0]=4 279 B5R1.3 NNC1CC1 NO18095 [1,0,0,1,0,0|2,0,0]=4 280 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|1,1,0]=4 281 B7R1.1 BrCC1CCCC1 DY20145 [0,1,0,1,0,0|2,0,0]=4 282 B7R1.1 CCC1CCCN1 DY738230 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.1 CCC1CCNC1 DY585732 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.1 CNC1CCCC1 DY757231 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.1 CNC1CCOC1 DY579885 [0,1,0,1,0,0|1,1,0]=4 286 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,1,0,1,0,0|1,1,0]=4 287 B7R1.1 COC1=NCCC1 NO10423 [0,1,0,1,0,0|1,1,0]=4 288 B7R1.1 COC1CCCC1 DY459258 [0,1,0,1,0,0|1,1,0]=4 289 B7R1.1 COC1CCNC1 NO22350 [0,1,0,1,0,0|1,1,0]=4 290 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,1,0,0|1,1,0]=4 291 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,1,0,0|1,1,0]=4 292 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,1,0,0|1,1,0]=4 293 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.1 NCC1CCCC1 NO14873 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.1 NCC1CCCN1 NO15469 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,1,0,1,0,0|1,1,0]=4 298 B7R1.1 OCC1CC=CC1 NO20734 [0,1,0,1,0,0|2,0,0]=4 299 B7R1.1 OCC1CCCC1 NO11185 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.1 OCC1CCCN1 DY556821 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.1 OCC1CCCN1 DY668415 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.1 OCC1CCCO1 DY20392 [0,1,0,1,0,0|1,1,0]=4 303 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,1,0,0|2,0,0]=4 304 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,1,0,0|2,0,0]=4 306 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,1,0,1,0,0|2,0,0]=4 307 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,1,0,0|2,0,0]=4 308 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,1,0,1,0,0|2,0,0]=4 309 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,1,0,1,0,0|1,1,0]=4 310 B7R1.2 CC1CCC(C)N1 DY585723 [0,1,0,1,0,0|2,0,0]=4 311 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,1,0,0|2,0,0]=4 317 B7R1.3 BrC1CCCCC1 NO11079 [0,1,0,1,0,0|2,0,0]=4 318 B7R1.3 BrC1CCNCC1 NO18356 [0,1,0,1,0,0|2,0,0]=4 319 B7R1.3 BrC1CCOCC1 NO18193 [0,1,0,1,0,0|1,1,0]=4 320 B7R1.3 CC1CCCCN1 DY20418 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.3 CC1CNCCN1 NO13503 [0,1,0,1,0,0|2,0,0]=4 322 B7R1.3 CC1CNCCO1 NO21692 [0,1,0,1,0,0|1,1,0]=4 323 B7R1.3 CC1COCCN1 NO22371 [0,1,0,1,0,0|1,1,0]=4 324 B7R1.3 CN1CC=CCC1 NO20742 [0,1,0,1,0,0|2,0,0]=4 325 B7R1.3 CN1CCNCC1 DY20458 [0,1,0,1,0,0|2,0,0]=4 326 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,1,0,1,0,0|2,0,0]=4 329 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,1,0,1,0,0|1,1,0]=4 330 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,1,0,1,0,0|1,1,0]=4 331 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,1,0,1,0,0|1,1,0]=4 332 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,1,0,1,0,0|2,0,0]=4 333 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,1,0,1,0,0|1,1,0]=4 334 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,1,0,1,0,0|1,1,0]=4 335 B7R1.3 C[C@H]1COCCN1 DY20820 [0,1,0,1,0,0|1,1,0]=4 336 B7R1.3 C[C@H]1COCCN1 NO22413 [0,1,0,1,0,0|1,1,0]=4 337 B7R1.3 ClC1CCCOC1 DY586426 [0,1,0,1,0,0|1,1,0]=4 338 B7R1.3 FC1CCNCC1 NO22845 [0,1,0,1,0,0|2,0,0]=4 339 B7R1.3 IC1CCNCC1 DY638708 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.3 IC1CCOCC1 NO18194 [0,1,0,1,0,0|1,1,0]=4 341 B7R1.3 NC1C=CCCC1 DY608404 [0,1,0,1,0,0|2,0,0]=4 342 B7R1.3 NC1CCCNC1 NO22655 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.3 NC1CCOCC1 NO16997 [0,1,0,1,0,0|1,1,0]=4 344 B7R1.3 NC1CCSCC1 DY541371 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,1,0,1,0,0|1,1,0]=4 347 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.3 O=C1CCCCO1 NO11208 [0,1,0,1,0,0|1,1,0]=4 349 B7R1.3 O=C1CCSCC1 NO18797 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.3 O=S1CCCCC1 DY822282 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.3 OC1CCCNC1 NO22642 [0,1,0,1,0,0|2,0,0]=4 352 B7R1.3 OC1CCCOC1 NO17782 [0,1,0,1,0,0|1,1,0]=4 353 B7R1.3 OC1CCNCC1 NO22643 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.3 OC1CCOCC1 NO13929 [0,1,0,1,0,0|1,1,0]=4 355 B7R1.3 OC1CCSCC1 NO12012 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.3 SC1CCOCC1 DY107026 [0,1,0,1,0,0|1,1,0]=4 359 B7R1.4 CC1CCCC1O DY757267 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.6 CCOC1CNC1 DY577479 [0,1,0,1,0,0|1,1,0]=4 363 B7R1.6 OCCC1CCO1 DY551169 [0,1,0,1,0,0|1,1,0]=4 364 B7R1.8 CN1CCC1CN DY104666 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.10 CSC1CC(O)C1 DY536265 [0,1,0,1,0,0|1,0,0]=3 367 B7R1.21 CCOC1(O)CC1 NO16017 [0,1,0,1,0,0|1,1,0]=4 368 B7R1.22 CCC(=O)C1CC1 DY566457 [0,1,0,1,0,0|2,0,0]=4 369 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,1,0,1,0,0|2,0,0]=4 370 B7R1.25 CCC1(O)CNC1 DY444268 [0,1,0,1,0,0|2,0,0]=4 371 B7R1.27 CCC1(C)ON1C DY549645 [0,1,0,1,0,0|1,1,0]=4 372 B7R1.7 CCCC[C@H]1CO1 DY822259 [0,1,0,1,0,0|1,1,0]=4 373 B7R1.7 CCNCC1CC1 DY606135 [0,1,0,1,0,0|2,0,0]=4 374 B7R1.7 CNCCC1CC1 DY758521 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.7 OCCC[C@@H]1CO1 DY536067 [0,1,0,1,0,0|1,1,0]=4 376 B7R1.14 CC1(Br)CCCC1 DY585925 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.14 CC1(C)NCCS1 NO22651 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.14 CC1(N)CCCC1 DY502389 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.18 CC(F)C1CNC1 DY718768 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.18 CC(O)C1CCC1 NO20672 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.18 C[C@@H](O)C1COC1 DY586622 [0,1,0,1,0,0|1,1,0]=4 383 B7R1.18 C[C@H](N)C1CCC1 DY586624 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.18 C[C@H](O)C1COC1 DY586621 [0,1,0,1,0,0|1,1,0]=4 385 B7R1.24 C1CNCCOC1 NO17007 [0,1,0,1,0,0|1,1,0]=4 386 B7R1.24 C1SSCSSS1 NO20471 [0,1,0,1,0,0|2,0,0]=4 387 B7R2.16 C1CC12CNC2 DY529809 [0,0,0,2,0,0|2,0,0]=4