0 B5R0.2 C=CCCCBr DY460284 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.2 C=CCC[Zn]Br DY121337 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 CCC#CCC DY740797 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.2 CCCCCBr NO20657 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.2 CCCC[Mg]Cl DY567561 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.2 CCOCCBr NO21396 [0,0,0,0,0,0|2,0,0]=2 6 B5R0.2 CCO\C=C\Br DY456448 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.2 CC\C=C\CO DY527871 [0,0,0,0,0,0|1,0,2]=3 8 B5R0.2 CNCCC#N NO22369 [0,0,0,0,0,0|1,0,2]=3 9 B5R0.2 CNCCCO NO14200 [0,0,0,0,0,0|2,0,0]=2 10 B5R0.2 CNCCNC NO15116 [0,0,0,0,0,0|3,0,0]=3 11 B5R0.2 COCCC#N NO22345 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.2 COCCCBr NO20649 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.2 COCCCO NO20039 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.2 COCCOC DY546591 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.2 CSCCCO DY557199 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.2 C\C=C\CCO DY799773 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.2 ClC\C=C\CCl DY10276 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.2 ClC\C=C\CCl DY10277 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.2 FCCCCF DY822299 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.2 N#CCCCN DY548775 [0,0,0,0,0,0|1,0,1]=2 21 B5R0.2 NCCCCBr NO14979 [0,0,0,0,0,0|1,0,0]=1 22 B5R0.2 NCCCCN NO19906 [0,0,0,0,0,0|1,0,0]=1 23 B5R0.2 NOC\C=C\Cl DY583173 [0,0,0,0,0,0|2,0,2]=4 24 B5R0.2 OCCCCF DY822291 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.2 OC\C=C\CCl DY10262 [0,0,0,0,0,0|2,0,2]=4 26 B4R0.2 BrCCCBr DY459264 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.2 C#CCCI DY554547 [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 C#CCCO DY580491 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|0,0,2]=3 30 B4R0.2 CCCCBr DY460620 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.2 CCNCC NO11240 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.2 CNCC#N NO19888 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CNCCBr DY584482 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.2 CNCCO NO20910 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.2 CSCSC DY528795 [1,0,0,0,0,0|2,0,0]=3 40 B4R0.2 FCCCF DY822298 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 ICCCI DY564171 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.2 N#CCCBr NO22188 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.2 N#CCCN DY526113 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.2 NCCCBr NO22190 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 OCCCF DY822290 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 SCCCS DY740347 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 [Li]CCCC DY790335 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.1 C=CC(O)CCN DY787899 [0,1,0,0,0,0|0,0,2]=3 49 B6R0.1 CC(CN)CCN DY791871 [0,1,0,0,0,0|1,0,0]=2 50 B6R0.1 CCCC(=O)NN NO22544 [0,1,0,0,0,0|1,0,1]=3 51 B6R0.1 CCCC(C)CBr DY112368 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.1 CCCC(O)CO NO20495 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 CCNC(=O)CN DY461322 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.1 CCOC(=O)CC DY460554 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CCOC(=O)CN DY700831 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.1 CCOC(=O)CN NO15347 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.1 CCOC(=O)CO NO11386 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(=O)NN NO11383 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 COC(=N)CCCl DY799605 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.1 COC(=O)CCCl DY741043 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 COC(=O)CCN NO22266 [0,1,0,0,0,0|1,0,1]=3 62 B6R0.1 COCC(=O)NN NO11580 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 N#CCC(O)CCl DY504207 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 N#CC[C@H](O)CCl NO22599 [0,1,0,0,0,0|1,0,2]=4 65 B6R0.1 NCCC(O)CO DY608108 [0,1,0,0,0,0|1,0,0]=2 66 B6R0.1 OC(CBr)CCBr DY740743 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.4 C=COCC(C)C DY822723 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.4 CC(=O)CCCBr NO10305 [0,1,0,0,0,0|1,0,1]=3 69 B6R0.4 CC(=O)CCCCl NO10334 [0,1,0,0,0,0|1,0,1]=3 70 B6R0.4 CC(=O)NCCCl DY33011 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.4 CC(C)CCCBr DY740443 [0,1,0,0,0,0|1,0,0]=2 72 B6R0.4 CC(C)NCCN DY20461 [0,1,0,0,0,0|1,0,0]=2 73 B6R0.4 CCCCC(C)O DY740779 [0,1,0,0,0,0|1,0,0]=2 74 B6R0.4 CCCC[SiH](C)C DY500283 [0,1,0,0,0,0|1,1,0]=3 75 B6R0.4 CCNCC(C)C DY564723 [0,1,0,0,0,0|2,0,0]=3 76 B6R0.4 CN(C)CCCBr NO22184 [0,1,0,0,0,0|2,0,0]=3 77 B6R0.4 CN(C)CCCCl NO13505 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.4 CN(C)CCCCl NO14943 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.4 CNCCC(C)C DY543681 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.4 CNCCC(C)C DY553713 [0,1,0,0,0,0|2,0,0]=3 81 B6R0.4 CNCCN(C)C NO11723 [0,1,0,0,0,0|3,0,0]=4 82 B6R0.4 CNCCN(C)C NO15131 [0,1,0,0,0,0|3,0,0]=4 83 B6R0.4 COCCC(=N)N DY569565 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.4 CSCCC(C)=O DY740809 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.4 NCCCC(=O)O NO14998 [0,1,0,0,0,0|1,0,1]=3 86 B6R0.4 NCCNC(=O)O DY822495 [0,1,0,0,0,0|2,0,1]=4 87 B6R0.4 O=C(O)CCCBr NO14053 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.6 BrCCNCCBr NO11032 [0,1,0,0,0,0|2,0,0]=3 89 B6R0.6 C#CCCCC=C DY565911 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.6 C#CCNCCBr DY540501 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.6 C#CCOCCO DY457828 [0,1,0,0,0,0|1,0,2]=4 92 B6R0.6 C=CCCCCCl DY427568 [0,1,0,0,0,0|1,0,1]=3 93 B6R0.6 C=CCCCCO NO10397 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.6 C=CCCC[Zn]Br DY121349 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.6 C=COCCON DY106384 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.6 CC#CCCCO DY580533 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.6 CCCCON=O DY461106 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.6 CCCCSCC DY740893 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.6 CCCOCCO DY740785 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.6 CNCCCCBr DY741283 [0,1,0,0,0,0|1,0,0]=2 101 B6R0.6 CNCCCCO DY554133 [0,1,0,0,0,0|1,0,0]=2 102 B6R0.6 COCCCCBr NO22933 [0,1,0,0,0,0|1,0,0]=2 103 B6R0.6 COCCCCO DY741295 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.6 COCCCOC DY792147 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.6 ClCCCCCBr DY559653 [0,1,0,0,0,0|1,0,0]=2 106 B6R0.6 ClCCNCCCl NO16038 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.6 FCCCCCBr NO14708 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.6 FCCCCCF DY822300 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.6 N#CCCCCCl NO10359 [0,1,0,0,0,0|0,0,2]=3 110 B6R0.6 NCCCCCN NO19074 [0,1,0,0,0,0|0,0,0]=1 111 B6R0.6 NCCNCCN DY740695 [0,1,0,0,0,0|1,0,0]=2 112 B6R0.6 NCCNCCO DY506670 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.6 O=CCCCC=O DY822316 [0,1,0,0,0,0|1,0,2]=4 114 B6R0.6 O=CCCCCBr DY510224 [0,1,0,0,0,0|1,0,1]=3 115 B6R0.6 OCCCCCCl NO14778 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.6 OCCCCCF DY822292 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.6 OCCCCCO NO20549 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.6 OCCNCCCl DY544797 [0,1,0,0,0,0|2,0,0]=3 119 B6R1.1 C1=CCNCC1 DY444071 [0,0,0,1,0,0|0,0,2]=3 120 B6R1.1 C1=CCSCC1 DY427366 [0,0,0,1,0,0|1,0,2]=4 121 B6R1.1 C1=COCCC1 DY20500 [0,0,0,1,0,0|1,0,2]=4 122 B6R1.1 C1CCNCC1 DY822173 [0,0,0,1,0,0|0,0,0]=1 123 B6R1.1 C1CCNNC1 DY586554 [0,0,0,1,0,0|1,0,0]=2 124 B6R1.1 C1CCNNC1 NO17893 [0,0,0,1,0,0|1,0,0]=2 125 B6R1.1 C1CCSCC1 DY822278 [0,0,0,1,0,0|1,0,0]=2 126 B6R1.1 C1CNCOC1 DY524601 [0,0,0,1,0,0|1,0,0]=2 127 B6R1.1 C1COCCN1 DY20726 [0,0,0,1,0,0|1,0,0]=2 128 B6R1.1 C1COCOC1 DY822672 [0,0,0,1,0,0|2,0,0]=3 129 B6R1.1 C1CSCCN1 DY20759 [0,0,0,1,0,0|1,0,0]=2 130 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,1,0,0|2,0,0]=3 131 B6R1.2 C=C1CCSC1 DY523665 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,1,0,0|0,0,2]=3 133 B6R1.2 CC1CCCN1 NO21699 [0,0,0,1,0,0|0,0,0]=1 134 B6R1.2 CC1CCCN1 NO21700 [0,0,0,1,0,0|0,0,0]=1 135 B6R1.2 CC1CCCO1 DY20580 [0,0,0,1,0,0|1,0,0]=2 136 B6R1.2 CC1CCNC1 DY667237 [0,0,0,1,0,0|2,0,0]=3 137 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,0,0,1,0,0|0,0,0]=1 138 B6R1.2 C[C@H]1CCCN1 NO18800 [0,0,0,1,0,0|0,0,0]=1 139 B6R1.2 C[C@H]1CCCN1 NO19735 [0,0,0,1,0,0|0,0,0]=1 140 B6R1.2 FC1CCNC1 NO12894 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,1,0,0|2,0,0]=3 142 B6R1.2 N=C1CCCS1 DY556065 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.2 NC1=NCCC1 NO19310 [0,0,0,1,0,0|1,0,1]=3 144 B6R1.2 NC1CC=CC1 NO19415 [0,0,0,1,0,0|0,0,2]=3 145 B6R1.2 NC1CCNC1 DY572169 [0,0,0,1,0,0|1,0,0]=2 146 B6R1.2 NC1CCOC1 NO12010 [0,0,0,1,0,0|1,0,0]=2 147 B6R1.2 NN1CCCC1 DY564555 [0,0,0,1,0,0|1,0,0]=2 148 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,0,0,1,0,0|1,0,0]=2 149 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,0,0,1,0,0|1,0,0]=2 150 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,1,0,0|1,0,0]=2 151 B6R1.2 N[C@H]1CCOC1 DY626689 [0,0,0,1,0,0|1,0,0]=2 152 B6R1.2 N[C@H]1CCOC1 NO20366 [0,0,0,1,0,0|1,0,0]=2 153 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,1,0,0|1,0,1]=3 154 B6R1.2 O=C1CCNC1 NO22412 [0,0,0,1,0,0|2,0,1]=4 155 B6R1.2 O=C1CCOC1 NO18178 [0,0,0,1,0,0|2,0,1]=4 156 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,1,0,0|2,0,1]=4 157 B6R1.2 O=C1NCCN1 NO21607 [0,0,0,1,0,0|2,0,1]=4 158 B6R1.2 OC1CC=CC1 DY10342 [0,0,0,1,0,0|1,0,2]=4 159 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,1,0,0|2,0,0]=3 160 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,1,0,0|2,0,0]=3 161 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.2 S=C1NCCN1 DY582963 [0,0,0,1,0,0|2,0,1]=4 165 B6R1.2 S=C1NCCO1 DY561801 [0,0,0,1,0,0|2,0,1]=4 166 B6R1.2 SC1CCOC1 DY789441 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.3 ICCC1CC1 DY549405 [0,0,0,1,0,0|1,0,0]=2 168 B6R1.3 N#CCC1CC1 DY433947 [0,0,0,1,0,0|0,0,2]=3 169 B6R1.3 NNCC1CC1 DY509474 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.3 NNCC1CC1 DY586553 [0,0,0,1,0,0|1,0,0]=2 171 B6R1.3 OCCN1CC1 DY505047 [0,0,0,1,0,0|2,0,0]=3 172 B6R1.4 CC1OCC1N DY732961 [0,0,0,1,0,0|1,0,0]=2 173 B6R1.4 C[C@@H]1NC[C@H]1O DY519399 [0,0,0,1,0,0|2,0,0]=3 174 B6R1.4 C[C@@H]1OC[C@H]1O DY515625 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.4 NN1CCC1=O DY585858 [0,0,0,1,0,0|2,0,1]=4 176 B6R1.4 O[C@H]1CC[C@H]1O DY756385 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.6 BrCC1CCC1 DY10470 [0,0,0,1,0,0|1,0,0]=2 178 B6R1.6 C=CC1CNC1 DY586611 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.6 COC1CNC1 NO17370 [0,0,0,1,0,0|3,0,0]=4 180 B6R1.6 N#CC1CNC1 NO10942 [0,0,0,1,0,0|1,0,2]=4 181 B6R1.6 NCC1CCC1 DY554907 [0,0,0,1,0,0|0,0,0]=1 182 B6R1.6 NCC1CCC1 NO11178 [0,0,0,1,0,0|0,0,0]=1 183 B6R1.6 NCC1CCS1 DY585795 [0,0,0,1,0,0|1,0,0]=2 184 B6R1.6 NCC1CNC1 DY508838 [0,0,0,1,0,0|1,0,0]=2 185 B6R1.6 NCC1COC1 DY10517 [0,0,0,1,0,0|1,0,0]=2 186 B6R1.6 NNC1CCC1 DY527943 [0,0,0,1,0,0|1,0,0]=2 187 B6R1.6 OCC1CCO1 NO15009 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.6 OCC1CNC1 NO12891 [0,0,0,1,0,0|2,0,0]=3 189 B6R1.6 OCC1COC1 NO14670 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.6 OC[C@@H]1CCN1 NO15230 [0,0,0,1,0,0|1,0,0]=2 191 B6R1.8 COC1CC1N DY503985 [0,0,0,1,0,0|1,0,0]=2 192 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.8 OCC1C[C@@H]1F DY102848 [0,0,0,1,0,0|2,0,0]=3 194 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|0,0,2]=4 195 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|1,0,0]=3 196 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|1,0,0]=3 197 B3R0.1 CNOC NO13986 [2,0,0,0,0,0|2,0,0]=4 198 B3R0.1 CSCCl DY584302 [2,0,0,0,0,0|2,0,0]=4 199 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|1,0,0]=3 200 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|1,0,0]=3 201 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|1,0,0]=3 202 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|1,0,0]=3 203 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|1,0,0]=3 205 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|1,0,0]=3 206 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|2,0,0]=4 207 B3R0.1 SCCS DY20652 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.1 C=C(C)CCBr NO14513 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.1 CC(C)CC=O NO11530 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.1 CC(C)CCBr DY460632 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.1 CC(N)CCO NO22096 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.1 CC(O)CON NO17735 [1,1,0,0,0,0|1,0,0]=3 213 B5R0.1 CCCB(O)O NO14802 [1,1,0,0,0,0|2,0,0]=4 214 B5R0.1 CCCC(=O)[O-] DY822775 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.1 CCCC(C)=O NO21731 [1,1,0,0,0,0|0,0,1]=3 216 B5R0.1 CCCC(C)O DY741013 [1,1,0,0,0,0|0,0,0]=2 217 B5R0.1 CCNC(C)=O DY564051 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.1 CCOC(C)=N DY500026 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.1 CCSC(=N)N DY505011 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.1 CN(C)CCBr NO10949 [1,1,0,0,0,0|2,0,0]=4 221 B5R0.1 CN(C)CCCl NO14471 [1,1,0,0,0,0|2,0,0]=4 222 B5R0.1 CN(C)CCN NO18603 [1,1,0,0,0,0|1,0,0]=3 223 B5R0.1 CN(C)CCO NO11733 [1,1,0,0,0,0|2,0,0]=4 224 B5R0.1 COCC(=N)N DY535605 [1,1,0,0,0,0|1,0,1]=4 225 B5R0.1 COCC(C)O NO20741 [1,1,0,0,0,0|1,0,0]=3 226 B5R0.1 COC[C@@H](C)O NO20249 [1,1,0,0,0,0|1,0,0]=3 227 B5R0.1 COC[C@H](C)N DY623421 [1,1,0,0,0,0|1,0,0]=3 228 B5R0.1 COC[C@H](C)O NO20309 [1,1,0,0,0,0|1,0,0]=3 229 B5R0.1 CSCC(=N)N DY504363 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.1 CSCC(N)=O NO12608 [1,1,0,0,0,0|1,0,1]=4 231 B5R0.1 C[C@@H](N)CCO NO14355 [1,1,0,0,0,0|1,0,0]=3 232 B5R0.1 C[C@H](N)CCO DY625189 [1,1,0,0,0,0|1,0,0]=3 233 B5R0.1 C[C@H](N)CCO NO14356 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.1 C[C@H](O)CC#N DY625225 [1,1,0,0,0,0|0,0,2]=4 235 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,1,0,0,0,0|0,0,2]=4 236 B5R0.1 FCCC(F)F DY793407 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.1 NCCC(=O)O NO13499 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.1 PCCC(Cl)Cl DY527415 [1,1,0,0,0,0|1,1,0]=4 239 B5R0.3 CCC(=O)OC DY460566 [1,1,0,0,0,0|1,0,1]=4 240 B5R0.3 CCC(Br)C#N DY789951 [1,1,0,0,0,0|0,0,2]=4 241 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|0,0,0]=2 244 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|1,0,0]=3 245 B5R0.3 CCN(O)CC DY551655 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.3 CC[C@H](C)C#N DY822231 [1,1,0,0,0,0|0,0,2]=4 248 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|1,0,0]=3 249 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|1,0,0]=3 250 B5R0.3 CNC(=O)CN DY437710 [1,1,0,0,0,0|1,0,1]=4 251 B5R0.3 CNC(=O)CN DY542271 [1,1,0,0,0,0|1,0,1]=4 252 B5R0.3 COC(=O)CN NO15045 [1,1,0,0,0,0|1,0,1]=4 253 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|2,0,0]=4 256 B5R0.3 NC(CO)CO NO18352 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.3 NCC(O)CN NO14232 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.3 NC[C@H](O)CCl DY427329 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.3 OC[C@@H](O)CCl NO15061 [1,1,0,0,0,0|2,0,0]=4 263 B5R0.3 OC[C@H](O)CCl DY20314 [1,1,0,0,0,0|2,0,0]=4 264 B7R0.2 CC(C)CC(=O)CN DY540483 [0,2,0,0,0,0|0,0,1]=3 265 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.2 CC(C)NC(=O)CN DY605375 [0,2,0,0,0,0|1,0,1]=4 268 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,2,0,0,0,0|1,0,1]=4 269 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,2,0,0,0,0|1,0,1]=4 270 B7R0.2 CN(C)CC(N)CO DY533205 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.2 CN(C)CC(O)CO NO15349 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,2,0,0,0,0|1,0,1]=4 273 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,2,0,0,0,0|1,0,1]=4 274 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,2,0,0,0,0|1,0,1]=4 276 B7R0.3 C#CCC[C@H](N)CO DY516333 [0,2,0,0,0,0|0,0,2]=4 277 B7R0.3 CCCCC(O)CO DY567525 [0,2,0,0,0,0|1,0,0]=3 278 B7R0.3 CCCOC(C)CN DY605531 [0,2,0,0,0,0|0,0,0]=2 279 B7R0.3 CCN(C)CCCO DY604490 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.3 COCC\C(N)=N\O DY610313 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 NCC(Cl)CCCCl DY822547 [0,2,0,0,0,0|0,0,0]=2 282 B7R0.5 CC(C)N(C)CCN DY604213 [0,2,0,0,0,0|1,0,0]=3 283 B7R0.5 CCCC(C)C(C)=O DY740965 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,2,0,0,0,0|1,0,1]=4 286 B7R0.5 CCOC(=O)C(C)N DY628935 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.5 NCCC(N)C(=O)O DY700789 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.5 NCCC(N)C(=O)O NO15080 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.5 NCCC(O)C(=O)O NO15496 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.7 CCOC(=O)CCN NO14330 [0,2,0,0,0,0|0,0,1]=3 294 B7R0.7 CCOC(=O)CNC NO17068 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.7 CCOC(=O)CNN NO19987 [0,2,0,0,0,0|1,0,1]=4 296 B7R0.7 COCC(N)COC NO21215 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.7 O=C(CCCl)CCCl NO19912 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.10 CCC(C)[C@H](N)C#N DY620666 [0,2,0,0,0,0|0,0,2]=4 299 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.10 OC(CBr)C(O)CBr DY523851 [0,2,0,0,0,0|2,0,0]=4 301 B7R0.12 CCN(CC)CCBr DY504939 [0,2,0,0,0,0|2,0,0]=4 302 B7R0.12 CCN(CC)CCN DY21046 [0,2,0,0,0,0|1,0,0]=3 303 B7R0.12 CCOC(CC)CN DY605537 [0,2,0,0,0,0|1,0,0]=3 304 B7R0.4 CC(=O)CCCCBr NO10627 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.4 CC(C)OCCCN DY546693 [0,2,0,0,0,0|0,0,0]=2 306 B7R0.4 CC(O)COCCN DY560097 [0,2,0,0,0,0|0,0,0]=2 307 B7R0.4 CCCCCB(O)O NO22305 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.4 CCCCCC(=O)Cl DY822275 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.4 CCCCCC(C)O NO21570 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.4 CCCOCC(=O)O DY425744 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.4 CCCSCC(N)=O DY742801 [0,2,0,0,0,0|0,0,1]=3 312 B7R0.4 CN(C)CCCCCl DY551337 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.4 CN(C)CCCCO NO22813 [0,2,0,0,0,0|1,0,0]=3 314 B7R0.4 CNCCCC(=O)O DY702793 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.4 CNCCCN(C)C DY584479 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.6 CC(Br)CCC(C)Br DY793473 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.6 CC(C)CCC(=N)N DY611066 [0,2,0,0,0,0|0,0,1]=3 319 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.8 CC(C)(C)OCCO DY570549 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.8 CC(C)(C)SCCN DY796767 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.8 CCCC[B-](F)(F)F DY753241 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.8 C[N+](C)(C)CCCBr NO20170 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.8 NCCCC(F)(F)F DY798333 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.8 NCCCP(=O)(O)O NO22520 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.8 NCCCS(N)(=O)=O DY569925 [0,2,0,0,0,0|2,0,0]=4 328 B7R0.8 NCCOC(F)(F)F DY548919 [0,2,0,0,0,0|2,0,0]=4 329 B7R0.8 OCCCC(F)(F)F DY20741 [0,2,0,0,0,0|2,0,0]=4 330 B7R0.1 BrCCCCCCBr NO20550 [0,2,0,0,0,0|1,0,0]=3 331 B7R0.1 C#CCCCCCC DY740767 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.1 C#CCCCCCO NO10705 [0,2,0,0,0,0|1,0,0]=3 333 B7R0.1 C=CCCCCCBr NO19607 [0,2,0,0,0,0|1,0,0]=3 334 B7R0.1 CCCOCCCN DY740653 [0,2,0,0,0,0|0,0,0]=2 335 B7R0.1 COCCOCCBr DY559431 [0,2,0,0,0,0|1,0,0]=3 336 B7R0.1 COCCOCCCl DY740401 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.1 ClCCCCCCI DY550149 [0,2,0,0,0,0|1,0,0]=3 338 B7R0.1 FCCCCCCF DY822301 [0,2,0,0,0,0|1,0,0]=3 339 B7R0.1 N#CCCSCCO DY791895 [0,2,0,0,0,0|0,0,2]=4 340 B7R0.1 NCCCCCCN DY740617 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.1 NCCCNCCBr NO13982 [0,2,0,0,0,0|0,0,0]=2 342 B7R0.1 NCCSSCCN DY557499 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.1 NCCSSCCN NO11190 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.1 NCC[Se][Se]CCN DY435603 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.1 OCCCCCCBr NO14335 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.1 OCCCCCCF DY822293 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.1 OCCOCCCCl DY740305 [0,2,0,0,0,0|1,0,0]=3 348 B7R0.1 SCCCCCCS DY741367 [0,2,0,0,0,0|1,0,0]=3 349 B5R1.1 C1=CCNC1 DY10278 [1,0,0,1,0,0|0,0,2]=4 350 B5R1.1 C1=CCNC1 DY798015 [1,0,0,1,0,0|0,0,2]=4 351 B5R1.1 C1CNNC1 NO16750 [1,0,0,1,0,0|1,0,0]=3 352 B5R1.1 C1COCO1 DY822673 [1,0,0,1,0,0|2,0,0]=4 353 B5R1.2 BrC1COC1 DY425330 [1,0,0,1,0,0|2,0,0]=4 354 B5R1.2 CC1CNC1 NO13089 [1,0,0,1,0,0|1,0,0]=3 355 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|0,0,0]=2 356 B5R1.2 ClC1CCC1 DY756391 [1,0,0,1,0,0|1,0,0]=3 357 B5R1.2 ClC1CNC1 DY586642 [1,0,0,1,0,0|2,0,0]=4 358 B5R1.2 FC1CNC1 NO22297 [1,0,0,1,0,0|2,0,0]=4 359 B5R1.2 IC1CNC1 DY444286 [1,0,0,1,0,0|2,0,0]=4 360 B5R1.2 IC1COC1 DY10503 [1,0,0,1,0,0|2,0,0]=4 361 B5R1.2 NC1COC1 NO22388 [1,0,0,1,0,0|1,0,0]=3 362 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|1,0,1]=4 363 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|1,0,0]=3 364 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|2,0,0]=4 365 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|2,0,0]=4 366 B5R1.3 BrCC1CC1 DY10481 [1,0,0,1,0,0|1,0,0]=3 367 B5R1.3 BrCC1CO1 DY822350 [1,0,0,1,0,0|2,0,0]=4 368 B5R1.3 BrC[C@H]1CO1 DY822260 [1,0,0,1,0,0|2,0,0]=4 369 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|1,0,0]=3 370 B5R1.3 CNC1CC1 NO13160 [1,0,0,1,0,0|1,0,0]=3 371 B5R1.3 ClCC1CC1 NO19956 [1,0,0,1,0,0|1,0,0]=3 372 B5R1.3 ClC[C@@H]1CO1 DY20322 [1,0,0,1,0,0|2,0,0]=4 373 B5R1.3 ClC[C@H]1CO1 DY557877 [1,0,0,1,0,0|2,0,0]=4 374 B5R1.3 NCC1CC1 NO18907 [1,0,0,1,0,0|0,0,0]=2 375 B5R1.3 NNC1CC1 NO15677 [1,0,0,1,0,0|1,0,0]=3 376 B5R1.3 NNC1CC1 NO18095 [1,0,0,1,0,0|1,0,0]=3 377 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|1,0,0]=3 378 B5R1.4 N[C@@H]1C[C@@H]1F DY620136 [1,0,0,1,0,0|1,0,0]=3 379 B5R1.4 N[C@@H]1C[C@H]1N DY586552 [1,0,0,1,0,0|1,0,0]=3 380 B5R1.4 N[C@H]1C[C@@H]1F DY758461 [1,0,0,1,0,0|1,0,0]=3 381 B5R1.4 N[C@H]1C[C@@H]1N DY586558 [1,0,0,1,0,0|1,0,0]=3 382 B5R1.4 N[C@H]1C[C@H]1N DY586550 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.1 BrCC1CCCC1 DY20145 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.1 BrCC1OCCO1 NO21401 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.1 C#CC1CCCC1 DY822738 [0,1,0,1,0,0|1,0,0]=3 386 B7R1.1 C#CC1CCCO1 DY586043 [0,1,0,1,0,0|1,0,1]=4 387 B7R1.1 C#CC1CCOC1 DY103679 [0,1,0,1,0,0|1,0,1]=4 388 B7R1.1 CCC1CCCN1 DY738230 [0,1,0,1,0,0|0,0,0]=2 389 B7R1.1 CCC1CCNC1 DY585732 [0,1,0,1,0,0|0,0,0]=2 390 B7R1.1 CNC1CCCC1 DY757231 [0,1,0,1,0,0|0,0,0]=2 391 B7R1.1 CNC1CCOC1 DY579885 [0,1,0,1,0,0|1,0,0]=3 392 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,1,0,1,0,0|1,0,0]=3 393 B7R1.1 COC1=NCCC1 NO10423 [0,1,0,1,0,0|0,0,2]=4 394 B7R1.1 COC1CCCC1 DY459258 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.1 COC1CCNC1 NO22350 [0,1,0,1,0,0|1,0,0]=3 396 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,1,0,0|1,0,0]=3 397 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,1,0,0|1,0,0]=3 398 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,1,0,1,0,0|0,0,0]=2 400 B7R1.1 N#C[C@H]1CCNC1 DY508184 [0,1,0,1,0,0|0,0,2]=4 401 B7R1.1 NCC1CCCC1 NO14873 [0,1,0,1,0,0|0,0,0]=2 402 B7R1.1 NCC1CCCN1 NO15469 [0,1,0,1,0,0|0,0,0]=2 403 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,1,0,1,0,0|0,0,0]=2 404 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,1,0,1,0,0|0,0,0]=2 405 B7R1.1 NNC1CCCC1 DY543699 [0,1,0,1,0,0|0,0,0]=2 406 B7R1.1 O=CC1CCCC1 DY21048 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.1 O=C[C@@H]1CCCN1 DY626191 [0,1,0,1,0,0|0,0,1]=3 408 B7R1.1 OCC1CC=CC1 NO20734 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.1 OCC1CCCC1 NO11185 [0,1,0,1,0,0|1,0,0]=3 410 B7R1.1 OCC1CCCN1 DY556821 [0,1,0,1,0,0|0,0,0]=2 411 B7R1.1 OCC1CCCN1 DY668415 [0,1,0,1,0,0|0,0,0]=2 412 B7R1.1 OCC1CCCO1 DY20392 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,1,0,0|1,0,0]=3 415 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,1,0,1,0,0|0,0,0]=2 417 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,1,0,1,0,0|0,0,0]=2 419 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,1,0,1,0,0|1,0,0]=3 420 B7R1.2 CC1CCC(=O)N1 DY505299 [0,1,0,1,0,0|0,0,1]=3 421 B7R1.2 CC1CCC(C)N1 DY585723 [0,1,0,1,0,0|0,0,0]=2 422 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,1,0,1,0,0|2,0,0]=4 425 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,1,0,1,0,0|0,0,0]=2 427 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,1,0,0|0,0,0]=2 429 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,1,0,1,0,0|1,0,1]=4 430 B7R1.2 NC1CCC(O)C1 NO14798 [0,1,0,1,0,0|0,0,0]=2 431 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [0,1,0,1,0,0|0,0,0]=2 432 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,1,0,1,0,0|0,0,0]=2 433 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [0,1,0,1,0,0|0,0,0]=2 435 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,1,0,1,0,0|0,0,0]=2 436 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,1,0,1,0,0|0,0,0]=2 437 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.2 O=C1CC(O)CN1 NO14706 [0,1,0,1,0,0|1,0,1]=4 441 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,1,0,1,0,0|1,0,1]=4 442 B7R1.3 BrC1CCCCC1 NO11079 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.3 BrC1CCNCC1 NO18356 [0,1,0,1,0,0|0,0,0]=2 444 B7R1.3 BrC1CCOCC1 NO18193 [0,1,0,1,0,0|1,0,0]=3 445 B7R1.3 CC1C=CCCO1 DY560079 [0,1,0,1,0,0|1,0,1]=4 446 B7R1.3 CC1CCCCN1 DY20418 [0,1,0,1,0,0|0,0,0]=2 447 B7R1.3 CC1CNCCN1 NO13503 [0,1,0,1,0,0|0,0,0]=2 448 B7R1.3 CC1CNCCO1 NO21692 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.3 CC1COCCN1 NO22371 [0,1,0,1,0,0|0,0,0]=2 450 B7R1.3 CN1CC=CCC1 NO20742 [0,1,0,1,0,0|0,0,2]=4 451 B7R1.3 CN1CCNCC1 DY20458 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,1,0,1,0,0|0,0,0]=2 453 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,1,0,1,0,0|0,0,0]=2 454 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,1,0,1,0,0|0,0,0]=2 455 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,1,0,1,0,0|0,0,0]=2 457 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,1,0,1,0,0|0,0,0]=2 458 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,1,0,1,0,0|0,0,0]=2 459 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,1,0,1,0,0|1,0,0]=3 461 B7R1.3 C[C@H]1COCCN1 DY20820 [0,1,0,1,0,0|0,0,0]=2 462 B7R1.3 C[C@H]1COCCN1 NO22413 [0,1,0,1,0,0|0,0,0]=2 463 B7R1.3 ClC1CCCOC1 DY586426 [0,1,0,1,0,0|1,0,0]=3 464 B7R1.3 FC1CCNCC1 NO22845 [0,1,0,1,0,0|0,0,0]=2 465 B7R1.3 IC1CCNCC1 DY638708 [0,1,0,1,0,0|0,0,0]=2 466 B7R1.3 IC1CCOCC1 NO18194 [0,1,0,1,0,0|1,0,0]=3 467 B7R1.3 NC1C=CCCC1 DY608404 [0,1,0,1,0,0|0,0,1]=3 468 B7R1.3 NC1CCCNC1 NO22655 [0,1,0,1,0,0|0,0,0]=2 469 B7R1.3 NC1CCOCC1 NO16997 [0,1,0,1,0,0|0,0,0]=2 470 B7R1.3 NC1CCSCC1 DY541371 [0,1,0,1,0,0|0,0,0]=2 471 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,1,0,1,0,0|0,0,0]=2 472 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,1,0,1,0,0|0,0,0]=2 473 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,1,0,1,0,0|0,0,0]=2 474 B7R1.3 O=C1CCCCO1 NO11208 [0,1,0,1,0,0|1,0,1]=4 475 B7R1.3 O=C1CCCNC1 DY557319 [0,1,0,1,0,0|0,0,1]=3 476 B7R1.3 O=C1CCCNC1 NO17767 [0,1,0,1,0,0|0,0,1]=3 477 B7R1.3 O=C1CCOCC1 NO13380 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.3 O=C1CCSCC1 NO18797 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.3 O=C1CNCCN1 NO19142 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.3 O=C1COCCN1 NO11697 [0,1,0,1,0,0|1,0,1]=4 481 B7R1.3 O=S1CCCCC1 DY822282 [0,1,0,1,0,0|1,0,0]=3 482 B7R1.3 O=S1CCNCC1 DY570699 [0,1,0,1,0,0|1,0,0]=3 483 B7R1.3 OC1C=CCNC1 DY552951 [0,1,0,1,0,0|0,0,2]=4 484 B7R1.3 OC1CCCNC1 NO22642 [0,1,0,1,0,0|0,0,0]=2 485 B7R1.3 OC1CCCOC1 NO17782 [0,1,0,1,0,0|1,0,0]=3 486 B7R1.3 OC1CCNCC1 NO22643 [0,1,0,1,0,0|0,0,0]=2 487 B7R1.3 OC1CCOCC1 NO13929 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 OC1CCSCC1 NO12012 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,1,0,1,0,0|0,0,0]=2 490 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,1,0,1,0,0|0,0,0]=2 491 B7R1.3 S=C1COCCN1 DY732685 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.3 SC1CCOCC1 DY107026 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.4 BrC1CCCC1Br DY585689 [0,1,0,1,0,0|1,0,0]=3 494 B7R1.4 CC1CCCC1O DY757267 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.4 CC1OCCC1=O NO14135 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.4 NC1CCCC1O NO19404 [0,1,0,1,0,0|0,0,0]=2 500 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,1,0,1,0,0|0,0,0]=2 501 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,1,0,1,0,0|0,0,0]=2 502 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.4 N[C@@H]1CNC[C@H]1F DY585432 [0,1,0,1,0,0|1,0,0]=3 504 B7R1.4 N[C@@H]1COC[C@@H]1F DY539427 [0,1,0,1,0,0|1,0,0]=3 505 B7R1.4 N[C@@H]1COC[C@H]1N DY444023 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [0,1,0,1,0,0|1,0,0]=3 508 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [0,1,0,1,0,0|0,0,0]=2 509 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,1,0,1,0,0|0,0,0]=2 510 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,1,0,1,0,0|0,0,0]=2 511 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,1,0,1,0,0|1,0,1]=4 512 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [0,1,0,1,0,0|1,0,0]=3 513 B7R1.4 O=C1CCCC1Cl DY567621 [0,1,0,1,0,0|1,0,1]=4 514 B7R1.4 O=C1NCCC1O DY444274 [0,1,0,1,0,0|1,0,1]=4 515 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,1,0,1,0,0|1,0,1]=4 516 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,1,0,1,0,0|1,0,1]=4 517 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [0,1,0,1,0,0|1,0,0]=3 519 B7R1.4 O[C@@H]1CNC[C@@H]1F DY586649 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.4 O[C@@H]1CNC[C@H]1F DY457961 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.4 O[C@H]1CNC[C@@H]1O NO20186 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.5 C=C1CC1CCO DY790953 [0,1,0,1,0,0|1,0,1]=4 523 B7R1.5 CC1CC1N=C=O DY121381 [0,1,0,1,0,0|1,0,1]=4 524 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,1,0,1,0,0|1,0,0]=3 525 B7R1.6 C=CCC1CNC1 DY586612 [0,1,0,1,0,0|0,0,2]=4 526 B7R1.6 CCOC1CNC1 DY577479 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.6 OCCC1CCO1 DY551169 [0,1,0,1,0,0|1,0,0]=3 528 B7R1.8 CN1CCC1CN DY104666 [0,1,0,1,0,0|0,0,0]=2 529 B7R1.8 NCC1CCC1F DY528009 [0,1,0,1,0,0|0,0,0]=2 530 B7R1.9 C#C[C@@H]1C[C@H]1CO DY586040 [0,1,0,1,0,0|1,0,1]=4 531 B7R1.9 N#CC1CC1CO DY757663 [0,1,0,1,0,0|0,0,2]=4 532 B7R1.9 NCC1CC1CO DY528789 [0,1,0,1,0,0|0,0,0]=2 533 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,1,0,1,0,0|1,0,0]=3 534 B7R1.10 CN1CC(CBr)C1 DY106288 [0,1,0,1,0,0|2,0,0]=4 535 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.10 COC1CC(=O)N1 DY548379 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.10 CSC1CC(O)C1 DY536265 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.10 NCC1CC(=O)C1 DY522525 [0,1,0,1,0,0|0,0,1]=3 539 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,1,0,1,0,0|0,0,0]=2 540 B7R1.21 CCOC1(O)CC1 NO16017 [0,1,0,1,0,0|2,0,0]=4 541 B7R1.21 NCCC1(O)CC1 DY576975 [0,1,0,1,0,0|0,0,0]=2 542 B7R1.21 OCCC1(F)CC1 DY585233 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.22 C#C[C@@H](O)C1CC1 DY586257 [0,1,0,1,0,0|1,0,1]=4 544 B7R1.22 CCC(=O)C1CC1 DY566457 [0,1,0,1,0,0|1,0,1]=4 545 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,1,0,1,0,0|1,0,0]=3 546 B7R1.22 NCC(O)C1CC1 DY608201 [0,1,0,1,0,0|0,0,0]=2 547 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,1,0,1,0,0|0,0,0]=2 548 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,1,0,1,0,0|1,0,0]=3 549 B7R1.22 O=C(CO)C1CC1 DY758275 [0,1,0,1,0,0|1,0,1]=4 550 B7R1.25 CC1(CBr)COC1 NO22179 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.25 CC1(CCl)COC1 DY573177 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.25 CC1(CN)CNC1 DY586631 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.25 CC1(CN)COC1 NO22390 [0,1,0,1,0,0|1,0,0]=3 554 B7R1.25 CC1(CO)COC1 NO16968 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.25 CC1(CS)COC1 DY115780 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.25 CCC1(O)CNC1 DY444268 [0,1,0,1,0,0|2,0,0]=4 557 B7R1.25 N#CC1(N)CCC1 DY756205 [0,1,0,1,0,0|0,0,2]=4 558 B7R1.25 NCC1(F)CCC1 DY577221 [0,1,0,1,0,0|0,0,0]=2 559 B7R1.25 NCC1(N)CCC1 NO17914 [0,1,0,1,0,0|0,0,0]=2 560 B7R1.25 NCC1(O)CCC1 NO12835 [0,1,0,1,0,0|0,0,0]=2 561 B7R1.25 OCC1(F)CNC1 DY459035 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.25 OCC1(O)CNC1 DY718774 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.7 CCCC[C@H]1CO1 DY822259 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.7 CCNCC1CC1 DY606135 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.7 CNCCC1CC1 DY758521 [0,1,0,1,0,0|0,0,0]=2 566 B7R1.7 N#CCCC1CC1 DY558495 [0,1,0,1,0,0|0,0,1]=3 567 B7R1.7 OCCC[C@@H]1CO1 DY536067 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.7 S=C=NCC1CC1 DY796827 [0,1,0,1,0,0|1,0,1]=4 569 B7R1.12 C[C@H]1C[C@H]1B(O)O DY705817 [0,1,0,1,0,0|2,0,0]=4 570 B7R1.14 CC1(Br)CCCC1 DY585925 [0,1,0,1,0,0|1,0,0]=3 571 B7R1.14 CC1(C)COCN1 DY557637 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.14 CC1(C)NCCS1 NO22651 [0,1,0,1,0,0|1,0,0]=3 573 B7R1.14 CC1(C)OCCO1 DY822372 [0,1,0,1,0,0|2,0,0]=4 574 B7R1.14 CC1(N)CCCC1 DY502389 [0,1,0,1,0,0|0,0,0]=2 575 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.14 FC1(F)CCNC1 NO16398 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.17 NC1CCC1(F)F DY529689 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.18 CC(F)C1CNC1 DY718768 [0,1,0,1,0,0|2,0,0]=4 579 B7R1.18 CC(O)C1CCC1 NO20672 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.18 C[C@@H](O)C1COC1 DY586622 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.18 C[C@H](N)C1CCC1 DY586624 [0,1,0,1,0,0|0,0,0]=2 582 B7R1.18 C[C@H](O)C1COC1 DY586621 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.18 NC(=O)C1CNC1 DY10515 [0,1,0,1,0,0|1,0,1]=4 584 B7R1.18 NC(=O)C1CNC1 DY10516 [0,1,0,1,0,0|1,0,1]=4 585 B7R1.18 O=C(O)C1CCC1 NO22786 [0,1,0,1,0,0|1,0,1]=4 586 B7R1.18 O=C(O)C1CCN1 NO18844 [0,1,0,1,0,0|1,0,1]=4 587 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,1,0,1,0,0|1,0,1]=4 588 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,1,0,1,0,0|1,0,1]=4 589 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,1,0,1,0,0|1,0,1]=4 590 B7R1.18 OB(O)C1CCC1 NO12533 [0,1,0,1,0,0|2,0,0]=4 591 B7R1.20 N=C(N)NC1CC1 DY608746 [0,1,0,1,0,0|1,0,1]=4 592 B7R1.23 CC1(C)CC1CN DY611072 [0,1,0,1,0,0|0,0,0]=2 593 B7R1.23 CC1(C)C[C@@H]1CN DY623445 [0,1,0,1,0,0|0,0,0]=2 594 B7R1.23 NC[C@H]1CC1(F)F DY758677 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.23 OCC1CC1(Cl)Cl DY559083 [0,1,0,1,0,0|2,0,0]=4 596 B7R1.24 C1CNCCOC1 NO17007 [0,1,0,1,0,0|0,0,0]=2 597 B7R2.16 C1CC12CNC2 DY529809 [0,0,0,2,0,0|2,0,0]=4 598 B7R2.8 NC1C2CC1C2 DY104372 [0,0,0,2,0,0|0,0,0]=2