0 B5R0.1 C=C(C)CCBr NO14513 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(=O)\C=N\O NO11520 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CC(=O)\C=N\O NO18968 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CC(C)=CCBr DY41900 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.1 CC(C)=CCCl DY460578 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CC(C)=C[SiH2]Cl DY822351 [0,0,0,0,0,0|2,1,1]=4 6 B5R0.1 CC(C)CC=O NO11530 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(C)CCBr DY460632 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CC(N)CCO NO22096 [0,0,0,0,0,0|2,0,0]=2 9 B5R0.1 CC(O)CON NO17735 [0,0,0,0,0,0|4,0,0]=4 10 B5R0.1 CCCB(O)O NO14802 [0,0,0,0,0,0|4,0,0]=4 11 B5R0.1 CCCC(=O)[O-] DY822775 [0,0,0,0,0,0|4,0,0]=4 12 B5R0.1 CCCC(C)=O NO21731 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.1 CCCC(C)O DY741013 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 CCNC(C)=O DY564051 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 CCOC(C)=N DY500026 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CN(C)CC=O DY558327 [0,0,0,0,0,0|0,0,2]=2 17 B5R0.1 CN(C)CC=O NO17734 [0,0,0,0,0,0|0,0,2]=2 18 B5R0.1 CN(C)CCBr NO10949 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 CN(C)CCCl NO14471 [0,0,0,0,0,0|1,0,0]=1 20 B5R0.1 CN(C)CCN NO18603 [0,0,0,0,0,0|1,0,0]=1 21 B5R0.1 CN(C)CCO NO11733 [0,0,0,0,0,0|0,0,0]=0 22 B5R0.1 COCC(C)O NO20741 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 COC[C@@H](C)O NO20249 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 COC[C@H](C)N DY623421 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 COC[C@H](C)O NO20309 [0,0,0,0,0,0|4,0,0]=4 26 B5R0.1 C[C@@H](N)CCO NO14355 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 C[C@H](N)CCO DY625189 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.1 C[C@H](N)CCO NO14356 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 C[C@H](O)CC#N DY625225 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 FCCC(F)F DY793407 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 NCCC(=O)O NO13499 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 PCCC(Cl)Cl DY527415 [0,0,0,0,0,0|4,0,0]=4 33 B4R0.1 CC(=O)CBr DY20986 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 CC(=O)CN NO10921 [1,0,0,0,0,0|3,0,0]=4 35 B4R0.1 CC(=O)CO NO11467 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 CC(=O)NO NO14961 [1,0,0,0,0,0|3,0,0]=4 37 B4R0.1 CC(C)=NO NO10884 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 CC(C)CO DY740701 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 CC(C)NN NO11525 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 CC(C)ON NO13668 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 CC(Cl)CCl DY822285 [1,0,0,0,0,0|3,0,0]=4 42 B4R0.1 CC(N)CO NO21310 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CC(O)CCl DY586846 [1,0,0,0,0,0|3,0,0]=4 44 B4R0.1 CCB(O)O NO13979 [1,0,0,0,0,0|3,0,0]=4 45 B4R0.1 CCC(C)I DY740911 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CCC(N)=O NO11886 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.1 CCP(Cl)Cl DY525741 [1,0,0,0,0,0|2,1,0]=4 48 B4R0.1 C[C@@H](Cl)CO NO20251 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.1 C[C@@H](N)CN DY10147 [1,0,0,0,0,0|3,0,0]=4 50 B4R0.1 C[C@@H](N)CO NO14182 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 C[C@@H](O)CCl DY20696 [1,0,0,0,0,0|3,0,0]=4 52 B4R0.1 C[C@@H](O)CO DY20330 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 C[C@H](N)CN NO20323 [1,0,0,0,0,0|3,0,0]=4 54 B4R0.1 C[C@H](N)CO DY624919 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 C[C@H](N)CO NO19476 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 C[C@H](O)CCl DY20697 [1,0,0,0,0,0|3,0,0]=4 57 B4R0.1 C[C@H](O)CN NO14075 [1,0,0,0,0,0|3,0,0]=4 58 B4R0.1 C\C(N)=N\O NO10879 [1,0,0,0,0,0|3,0,0]=4 59 B4R0.1 C\C=C(/C)Br DY10255 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C\N=[N+](/C)[O-] DY544839 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 O=C(O)CO NO19334 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 O=S([O-])CO NO11936 [1,0,0,0,0,0|3,0,0]=4 63 B4R0.1 OCC(F)F NO20974 [1,0,0,0,0,0|3,0,0]=4 64 B4R0.2 BrCCCBr DY459264 [1,0,0,0,0,0|3,0,0]=4 65 B4R0.2 C#CCCI DY554547 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.2 C#CCCO DY580491 [1,0,0,0,0,0|1,0,1]=3 67 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 CCCCBr DY460620 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 CCNCC NO11240 [1,0,0,0,0,0|3,0,0]=4 70 B4R0.2 CNCC#N NO19888 [1,0,0,0,0,0|1,0,1]=3 71 B4R0.2 CNCCBr DY584482 [1,0,0,0,0,0|1,0,0]=2 72 B4R0.2 CNCCO NO20910 [1,0,0,0,0,0|0,0,0]=1 73 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|1,0,2]=4 74 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|1,0,0]=2 77 B4R0.2 CSCSC DY528795 [1,0,0,0,0,0|3,0,0]=4 78 B4R0.2 FCCCF DY822298 [1,0,0,0,0,0|3,0,0]=4 79 B4R0.2 ICCCI DY564171 [1,0,0,0,0,0|3,0,0]=4 80 B4R0.2 N#CCCBr NO22188 [1,0,0,0,0,0|3,0,0]=4 81 B4R0.2 N#CCCN DY526113 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 NCCCBr NO22190 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 OCCCF DY822290 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 SCCCS DY740347 [1,0,0,0,0,0|2,1,0]=4 85 B4R0.2 [Li]CCCC DY790335 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.1 CC(CN)CCN DY791871 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.1 CCCC(C)CBr DY112368 [0,1,0,0,0,0|2,0,0]=3 88 B6R0.1 CCCC(O)CO NO20495 [0,1,0,0,0,0|3,0,0]=4 89 B6R0.1 COC(=N)CCCl DY799605 [0,1,0,0,0,0|3,0,0]=4 90 B6R0.1 COC(=O)CCCl DY741043 [0,1,0,0,0,0|3,0,0]=4 91 B6R0.1 COC(=O)CCN NO22266 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.1 NCCC(O)CO DY608108 [0,1,0,0,0,0|3,0,0]=4 93 B6R0.1 N\C(CCO)=N/O DY607623 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.1 O=C(CCl)NCO NO14580 [0,1,0,0,0,0|3,0,0]=4 95 B6R0.1 OC(CBr)CCBr DY740743 [0,1,0,0,0,0|3,0,0]=4 96 B6R0.2 CC(C)=CC(=O)O NO14947 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.2 CC(C)CB(O)O NO22276 [0,1,0,0,0,0|2,0,0]=3 98 B6R0.2 CC(C)CC(C)N DY822361 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.2 CC(O)CN(C)C DY741373 [0,1,0,0,0,0|0,0,0]=1 101 B6R0.2 CN(C)CC(=O)O NO13413 [0,1,0,0,0,0|0,0,1]=2 102 B6R0.2 CP(C)CP(C)C DY565029 [0,1,0,0,0,0|2,1,0]=4 103 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,1,0,0,0,0|2,0,1]=4 104 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,1,0,0,0,0|1,0,0]=2 105 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.2 C[C@@H](O)CN(C)C DY585675 [0,1,0,0,0,0|0,0,0]=1 107 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 C=CC(=O)N(C)C DY545499 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.3 CC(C)C(=O)CCl DY740659 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.3 CC(C)[C@@H](N)CO NO22659 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.3 CC(C)[C@H](N)CO NO17224 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 CC(C)\C(N)=N\O DY574395 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.3 CN(C)C(=O)CBr NO14025 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.3 CN(C)C(=O)CCl DY545469 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.3 CN(C)C(=O)CN NO21306 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.3 NC(=O)C(N)CO DY544785 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [0,1,0,0,0,0|3,0,0]=4 121 B6R0.3 NC(=O)[C@H](N)CO DY504027 [0,1,0,0,0,0|3,0,0]=4 122 B6R0.3 NC(CO)C(=O)O NO18949 [0,1,0,0,0,0|3,0,0]=4 123 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,1,0,0,0,0|3,0,0]=4 124 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,1,0,0,0,0|3,0,0]=4 125 B6R0.4 C=COCC(C)C DY822723 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.4 CC(=O)CCCBr NO10305 [0,1,0,0,0,0|3,0,0]=4 127 B6R0.4 CC(=O)CCCCl NO10334 [0,1,0,0,0,0|3,0,0]=4 128 B6R0.4 CC(=O)NCCCl DY33011 [0,1,0,0,0,0|3,0,0]=4 129 B6R0.4 CC(C)=CC[Zn]Cl DY116080 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 CC(C)CCCBr DY740443 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.4 CC(C)NCCN DY20461 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.4 CCCCC(C)O DY740779 [0,1,0,0,0,0|3,0,0]=4 133 B6R0.4 CCCC[SiH](C)C DY500283 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.4 CCNCC(C)C DY564723 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.4 CN(C)CCCBr NO22184 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.4 CN(C)CCCCl NO13505 [0,1,0,0,0,0|1,0,0]=2 137 B6R0.4 CN(C)CCCCl NO14943 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.4 CNCCC(C)C DY543681 [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 CNCCC(C)C DY553713 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.4 CNCCN(C)C NO11723 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.4 CNCCN(C)C NO15131 [0,1,0,0,0,0|1,0,0]=2 142 B6R0.4 COCCC(=N)N DY569565 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.4 CSCCC(C)=O DY740809 [0,1,0,0,0,0|2,1,0]=4 144 B6R0.5 CC(C)(C)CC=O DY20142 [0,1,0,0,0,0|1,0,2]=4 145 B6R0.5 CC(C)(C)CCO NO21905 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.5 CC(C)(O)CCBr NO15788 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.5 C[Si](C)(C)CCN DY789417 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.5 C[Si](C)(C)CCO DY546735 [0,1,0,0,0,0|1,0,0]=2 149 B6R0.5 O=S(=O)(O)CCO DY504969 [0,1,0,0,0,0|3,0,0]=4 150 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,1,0,0|3,0,0]=4 151 B6R1.2 C=C1CCSC1 DY523665 [0,0,0,1,0,0|1,1,1]=4 152 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,1,0,0|3,0,0]=4 153 B6R1.2 CC1CCCN1 NO21699 [0,0,0,1,0,0|3,0,0]=4 154 B6R1.2 CC1CCCN1 NO21700 [0,0,0,1,0,0|3,0,0]=4 155 B6R1.2 CC1CCCO1 DY20580 [0,0,0,1,0,0|3,0,0]=4 156 B6R1.2 CC1CCNC1 DY667237 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,0,0,1,0,0|3,0,0]=4 158 B6R1.2 C[C@H]1CCCN1 NO18800 [0,0,0,1,0,0|3,0,0]=4 159 B6R1.2 C[C@H]1CCCN1 NO19735 [0,0,0,1,0,0|3,0,0]=4 160 B6R1.2 FC1CCNC1 NO12894 [0,0,0,1,0,0|3,0,0]=4 161 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,1,0,0|3,0,0]=4 162 B6R1.2 NC1CCNC1 DY572169 [0,0,0,1,0,0|3,0,0]=4 163 B6R1.2 NC1CCOC1 NO12010 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.2 NN1CCCC1 DY564555 [0,0,0,1,0,0|2,0,0]=3 165 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.2 N[C@H]1CCOC1 DY626689 [0,0,0,1,0,0|2,0,0]=3 169 B6R1.2 N[C@H]1CCOC1 NO20366 [0,0,0,1,0,0|2,0,0]=3 170 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.2 O=C1CCNC1 NO22412 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.2 O=C1CCOC1 NO18178 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,1,0,0|2,1,0]=4 174 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,1,0,0|3,0,0]=4 175 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,1,0,0|3,0,0]=4 176 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,1,0,0|2,0,0]=3 177 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,0,0,1,0,0|3,0,0]=4 178 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,1,0,0|3,0,0]=4 179 B6R1.2 SC1CCOC1 DY789441 [0,0,0,1,0,0|2,0,0]=3 180 B6R1.3 ICCC1CC1 DY549405 [0,0,0,1,0,0|2,0,0]=3 181 B6R1.3 N#CCC1CC1 DY433947 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.3 NNCC1CC1 DY509474 [0,0,0,1,0,0|3,0,0]=4 183 B6R1.3 NNCC1CC1 DY586553 [0,0,0,1,0,0|3,0,0]=4 184 B6R1.3 OCCN1CC1 DY505047 [0,0,0,1,0,0|0,0,0]=1 185 B6R1.5 CC1CC(N)C1 DY105778 [0,0,0,1,0,0|2,0,0]=3 186 B6R1.5 CC1CC(O)C1 DY539301 [0,0,0,1,0,0|1,0,0]=2 187 B6R1.5 CN1CC(=O)C1 DY533589 [0,0,0,1,0,0|0,0,2]=3 188 B6R1.5 CN1CC(N)C1 DY444125 [0,0,0,1,0,0|1,0,0]=2 189 B6R1.5 NC1CC(=O)C1 DY444232 [0,0,0,1,0,0|3,0,0]=4 190 B6R1.5 NC1CC(=O)C1 DY756175 [0,0,0,1,0,0|3,0,0]=4 191 B6R1.5 NC1CC(N)C1 DY103595 [0,0,0,1,0,0|3,0,0]=4 192 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [0,0,0,1,0,0|2,0,0]=3 194 B6R1.8 OCC1C[C@@H]1F DY102848 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.11 CC(C)C1CO1 DY791517 [0,0,0,1,0,0|1,0,0]=2 196 B6R1.11 CC(N)C1CC1 DY528885 [0,0,0,1,0,0|3,0,0]=4 197 B6R1.11 CC(O)C1CC1 DY757429 [0,0,0,1,0,0|3,0,0]=4 198 B6R1.11 C[C@H](N)C1CC1 DY623903 [0,0,0,1,0,0|3,0,0]=4 199 B6R1.11 O=C([O-])C1CO1 NO17514 [0,0,0,1,0,0|3,0,0]=4 200 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [0,0,0,1,0,0|3,0,0]=4 201 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|0,0,0]=2 203 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.1 CNC=O DY513177 [2,0,0,0,0,0|0,0,2]=4 205 B3R0.1 CNOC NO13986 [2,0,0,0,0,0|1,0,0]=3 206 B3R0.1 CSCCl DY584302 [2,0,0,0,0,0|2,0,0]=4 207 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|1,0,0]=3 208 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|1,0,0]=3 209 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|1,0,0]=3 210 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|1,0,0]=3 211 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|1,0,0]=3 212 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|1,0,0]=3 213 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|0,1,0]=3 214 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|1,0,0]=3 215 B3R0.1 SCCS DY20652 [2,0,0,0,0,0|1,1,0]=4 216 B3R0.2 CB(O)O DY508688 [2,0,0,0,0,0|2,0,0]=4 217 B3R0.2 CC(=O)O DY562245 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.2 CC(C)Br DY41864 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.2 CC(C)I DY742309 [2,0,0,0,0,0|2,0,0]=4 220 B3R0.2 CC(C)[O-] DY822961 [2,0,0,0,0,0|1,0,1]=4 221 B3R0.2 CN(C)C DY460488 [2,0,0,0,0,0|0,0,0]=2 222 B3R0.2 CS(C)=O DY506586 [2,0,0,0,0,0|1,0,1]=4 223 B3R0.2 C[13C](=O)O DY454749 [2,0,0,0,0,0|2,0,0]=4 224 B3R0.2 C[PH](C)=O DY21075 [2,0,0,0,0,0|0,1,1]=4 225 B3R0.2 C[S+](C)C DY794205 [2,0,0,0,0,0|1,0,0]=3 226 B3R0.2 C[SiH](C)Cl DY822313 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.3 C=C(CO)CO NO21689 [1,1,0,0,0,0|1,0,1]=4 228 B5R0.3 CCC(=O)OC DY460566 [1,1,0,0,0,0|2,0,0]=4 229 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|2,0,0]=4 230 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|2,0,0]=4 232 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|2,0,0]=4 233 B5R0.3 CCN(O)CC DY551655 [1,1,0,0,0,0|1,0,0]=3 234 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|2,0,0]=4 235 B5R0.3 CC[C@H](C)C#N DY822231 [1,1,0,0,0,0|1,0,1]=4 236 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|2,0,0]=4 237 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|2,0,0]=4 238 B5R0.3 COC(=O)CO NO19433 [1,1,0,0,0,0|2,0,0]=4 239 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|2,0,0]=4 240 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|2,0,0]=4 241 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 NC(CO)CO NO18352 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|2,0,0]=4 244 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|2,0,0]=4 246 B5R0.3 O=C(CO)CO NO11245 [1,1,0,0,0,0|2,0,0]=4 247 B5R0.3 OC[C@@H](O)CCl NO15061 [1,1,0,0,0,0|2,0,0]=4 248 B5R0.3 OC[C@H](O)CCl DY20314 [1,1,0,0,0,0|2,0,0]=4 249 B5R0.4 CC(C)(Br)CBr DY796695 [1,1,0,0,0,0|2,0,0]=4 250 B5R0.4 CC(C)(C)CN NO11775 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.4 CC(C)(C)OO DY741391 [1,1,0,0,0,0|2,0,0]=4 252 B5R0.4 CC(C)(O)CN NO20593 [1,1,0,0,0,0|2,0,0]=4 253 B5R0.4 CCC(C)(C)[O-] DY822652 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.4 CCC(C)(C)[O-] DY822653 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.5 CC(=O)C(C)C DY740329 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.5 CC(=O)C(C)Cl DY740749 [1,1,0,0,0,0|2,0,0]=4 257 B5R0.5 CC(C)B(O)O DY454222 [1,1,0,0,0,0|2,0,0]=4 258 B5R0.5 CN(C)C(=S)[S-] DY822456 [1,1,0,0,0,0|0,1,1]=4 259 B5R0.2 CCCCCBr NO20657 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.2 CCCC[Mg]Cl DY567561 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.2 CCOCCBr NO21396 [1,1,0,0,0,0|2,0,0]=4 262 B5R0.2 CC\C=C\CO DY527871 [1,1,0,0,0,0|1,0,1]=4 263 B5R0.2 CNCCC#N NO22369 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.2 CNCCCO NO14200 [1,1,0,0,0,0|0,0,0]=2 265 B5R0.2 CNCCNC NO15116 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.2 COCCC#N NO22345 [1,1,0,0,0,0|2,0,0]=4 267 B5R0.2 COCCCBr NO20649 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.2 COCCCO NO20039 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.2 COCCOC DY546591 [1,1,0,0,0,0|1,0,0]=3 270 B5R0.2 CSCCCO DY557199 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.2 C\C=C\CCO DY799773 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.2 FCCCCF DY822299 [1,1,0,0,0,0|2,0,0]=4 273 B5R0.2 NCCCCBr NO14979 [1,1,0,0,0,0|2,0,0]=4 274 B5R0.2 NCCCCN NO19906 [1,1,0,0,0,0|2,0,0]=4 275 B5R0.2 OCCCCF DY822291 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.2 OC\C=C\CCl DY10262 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.2 CC(C)CC(=O)CN DY540483 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,2,0,0,0,0|1,0,0]=3 279 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,2,0,0,0,0|1,0,0]=3 280 B7R0.2 CC(C)OC(=O)CO NO11522 [0,2,0,0,0,0|1,0,1]=4 281 B7R0.2 CN(C)CC(N)CO DY533205 [0,2,0,0,0,0|0,0,0]=2 282 B7R0.2 CN(C)CC(O)CO NO15349 [0,2,0,0,0,0|0,0,0]=2 283 B7R0.2 CNC(C)CC(=O)O DY606375 [0,2,0,0,0,0|1,0,1]=4 284 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.3 CCCOC(C)CN DY605531 [0,2,0,0,0,0|2,0,0]=4 287 B7R0.3 CCN(C)CCCO DY604490 [0,2,0,0,0,0|0,0,0]=2 288 B7R0.5 CC(C)N(C)CCN DY604213 [0,2,0,0,0,0|1,0,0]=3 289 B7R0.5 CCCC(=O)N(C)C DY584357 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.5 CCCC(C)C(C)=O DY740965 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.5 CN(C)C(=O)CCO DY606315 [0,2,0,0,0,0|0,0,0]=2 292 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,2,0,0,0,0|1,0,0]=3 293 B7R0.10 COC(=O)C(F)CO NO17081 [0,2,0,0,0,0|2,0,0]=4 294 B7R0.10 COC(=O)C(N)CO NO16785 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,2,0,0,0,0|2,0,0]=4 296 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,2,0,0,0,0|2,0,0]=4 298 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,2,0,0,0,0|2,0,0]=4 299 B7R0.11 C[N+](C)(CF)CCO DY795621 [0,2,0,0,0,0|0,0,1]=3 300 B7R0.12 CCN(CC)CCBr DY504939 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.12 CCN(CC)CCN DY21046 [0,2,0,0,0,0|1,0,0]=3 302 B7R0.9 CC(=O)CC(C)(C)O DY740611 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.9 CC(C)(C)CC(=O)O NO22814 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.9 CC(C)(N)CC(=O)O NO14805 [0,2,0,0,0,0|1,0,1]=4 305 B7R0.9 CC(C)(N)CC(=O)O NO17039 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.9 CN(C)CC(C)(C)O DY41894 [0,2,0,0,0,0|0,0,0]=2 307 B7R0.9 CN(C)C[B-](F)(F)F DY753187 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.9 C[N+](C)(C)CC(=O)O DY562113 [0,2,0,0,0,0|0,0,2]=4 309 B7R0.16 CC(C)C(N)C(C)C NO17730 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [0,2,0,0,0,0|0,0,2]=4 312 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,2,0,0,0,0|0,0,1]=3 313 B7R0.15 COC(OC)N(C)C DY20585 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.4 CC(C)OCCCN DY546693 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.4 CN(C)CCCCCl DY551337 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.4 CN(C)CCCCO NO22813 [0,2,0,0,0,0|0,0,0]=2 317 B7R0.4 CNCCCN(C)C DY584479 [0,2,0,0,0,0|1,0,0]=3 318 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.6 CC(C)CCC(=N)N DY611066 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.6 CN(C)CCC(=O)O NO12169 [0,2,0,0,0,0|0,0,0]=2 322 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.8 CC(C)(C)OCCO DY570549 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.8 CC(C)(C)SCCN DY796767 [0,2,0,0,0,0|2,0,0]=4 325 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|2,0,0]=4 326 B7R0.8 C[N+](C)(C)CCCBr NO20170 [0,2,0,0,0,0|1,0,1]=4 327 B5R1.2 BrC1COC1 DY425330 [1,0,0,1,0,0|2,0,0]=4 328 B5R1.2 C=C1COC1 DY584212 [1,0,0,1,0,0|1,0,1]=4 329 B5R1.2 CC1CNC1 NO13089 [1,0,0,1,0,0|2,0,0]=4 330 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|2,0,0]=4 331 B5R1.2 ClC1CCC1 DY756391 [1,0,0,1,0,0|2,0,0]=4 332 B5R1.2 IC1COC1 DY10503 [1,0,0,1,0,0|2,0,0]=4 333 B5R1.2 NC1COC1 NO22388 [1,0,0,1,0,0|2,0,0]=4 334 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|2,0,0]=4 335 B5R1.2 O=C1COC1 NO22391 [1,0,0,1,0,0|2,0,0]=4 336 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|2,0,0]=4 337 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|2,0,0]=4 338 B5R1.3 BrCC1CC1 DY10481 [1,0,0,1,0,0|2,0,0]=4 339 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|2,0,0]=4 340 B5R1.3 CNC1CC1 NO13160 [1,0,0,1,0,0|2,0,0]=4 341 B5R1.3 ClCC1CC1 NO19956 [1,0,0,1,0,0|2,0,0]=4 342 B5R1.3 NCC1CC1 NO18907 [1,0,0,1,0,0|2,0,0]=4 343 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|1,0,0]=3 344 B5R1.5 CC1(N)CC1 NO15074 [1,0,0,1,0,0|2,0,0]=4 345 B5R1.1 C1=CCNC1 DY10278 [1,0,0,1,0,0|1,0,1]=4 346 B5R1.1 C1=CCNC1 DY798015 [1,0,0,1,0,0|1,0,1]=4 347 B5R1.1 C1=NCCO1 DY793809 [1,0,0,1,0,0|0,0,2]=4 348 B5R1.1 C1CNNC1 NO16750 [1,0,0,1,0,0|2,0,0]=4 349 B5R1.1 C1COCO1 DY822673 [1,0,0,1,0,0|1,0,0]=3 350 B7R1.1 BrCC1CCCC1 DY20145 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.1 C#CC1CCOC1 DY103679 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.1 CCC1CCNC1 DY585732 [0,1,0,1,0,0|2,0,0]=4 353 B7R1.1 CNC1CCCC1 DY757231 [0,1,0,1,0,0|2,0,0]=4 354 B7R1.1 CNC1CCOC1 DY579885 [0,1,0,1,0,0|1,0,0]=3 355 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,1,0,1,0,0|1,0,0]=3 356 B7R1.1 COC1CCCC1 DY459258 [0,1,0,1,0,0|2,0,0]=4 357 B7R1.1 COC1CCNC1 NO22350 [0,1,0,1,0,0|2,0,0]=4 358 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,1,0,0|2,0,0]=4 360 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,1,0,0|2,0,0]=4 361 B7R1.1 NCC1CCCC1 NO14873 [0,1,0,1,0,0|2,0,0]=4 362 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,1,0,1,0,0|1,0,0]=3 363 B7R1.1 OCC1CCCC1 NO11185 [0,1,0,1,0,0|2,0,0]=4 364 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,1,0,0|2,0,0]=4 366 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,1,0,0|2,0,0]=4 367 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,1,0,0|2,0,0]=4 368 B7R1.2 CN1CCC(=O)C1 NO20760 [0,1,0,1,0,0|0,0,1]=3 369 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,1,0,1,0,0|0,0,0]=2 371 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,1,0,1,0,0|1,0,0]=3 373 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,1,0,0|1,0,0]=3 374 B7R1.2 NC1CCC(O)C1 NO14798 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,1,0,1,0,0|2,0,0]=4 377 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,1,0,1,0,0|2,0,0]=4 378 B7R1.2 O=C1CC(O)CN1 NO14706 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,1,0,1,0,0|2,0,0]=4 381 B7R1.3 BrC1=CCOCC1 DY543735 [0,1,0,1,0,0|2,0,0]=4 382 B7R1.3 BrC1CCOCC1 NO18193 [0,1,0,1,0,0|2,0,0]=4 383 B7R1.3 CC1CCCCN1 DY20418 [0,1,0,1,0,0|2,0,0]=4 384 B7R1.3 CC1CNCCN1 NO13503 [0,1,0,1,0,0|2,0,0]=4 385 B7R1.3 CC1CNCCO1 NO21692 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.3 CC1COCCN1 NO22371 [0,1,0,1,0,0|1,0,0]=3 387 B7R1.3 CN1CC=CCC1 NO20742 [0,1,0,1,0,0|1,0,0]=3 388 B7R1.3 CN1CCNCC1 DY20458 [0,1,0,1,0,0|1,0,0]=3 389 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,1,0,1,0,0|2,0,0]=4 390 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,1,0,1,0,0|1,0,0]=3 394 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,1,0,1,0,0|1,0,0]=3 395 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,1,0,1,0,0|2,0,0]=4 396 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,1,0,1,0,0|2,0,0]=4 397 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,1,0,1,0,0|2,0,0]=4 398 B7R1.3 C[C@H]1COCCN1 DY20820 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.3 C[C@H]1COCCN1 NO22413 [0,1,0,1,0,0|1,0,0]=3 400 B7R1.3 ClC1CCCOC1 DY586426 [0,1,0,1,0,0|2,0,0]=4 401 B7R1.3 IC1CCOCC1 NO18194 [0,1,0,1,0,0|2,0,0]=4 402 B7R1.3 NC1CCOCC1 NO16997 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,1,0,1,0,0|2,0,0]=4 404 B7R1.3 O=C1CCOCC1 NO13380 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.3 O=C1COCCN1 NO11697 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.3 O=C1COCCO1 DY20725 [0,1,0,1,0,0|2,0,0]=4 407 B7R1.3 OC1CCCOC1 NO17782 [0,1,0,1,0,0|2,0,0]=4 408 B7R1.3 OC1CCOCC1 NO13929 [0,1,0,1,0,0|2,0,0]=4 409 B7R1.3 S=C1COCCN1 DY732685 [0,1,0,1,0,0|2,0,0]=4 410 B7R1.3 SC1CCOCC1 DY107026 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.4 CC1CCCC1O DY757267 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.4 CC1OCCC1=O NO14135 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.4 NN1CCOC1=O DY774063 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.4 N[C@@H]1COC[C@@H]1F DY539427 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.4 N[C@@H]1COC[C@H]1N DY444023 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [0,1,0,1,0,0|2,0,0]=4 418 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [0,1,0,1,0,0|2,0,0]=4 419 B7R1.5 C=C1CC1CCO DY790953 [0,1,0,1,0,0|1,0,1]=4 420 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.6 OCCC1CCO1 DY551169 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.8 CN1CCC1CN DY104666 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.9 C#C[C@@H]1C[C@H]1CO DY586040 [0,1,0,1,0,0|1,0,1]=4 424 B7R1.9 N#CC1CC1CO DY757663 [0,1,0,1,0,0|1,0,1]=4 425 B7R1.9 NCC1CC1CO DY528789 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.10 CN1CC(CBr)C1 DY106288 [0,1,0,1,0,0|1,0,0]=3 428 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.10 CSC1CC(O)C1 DY536265 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,1,0,1,0,0|1,0,0]=3 431 B7R1.21 NCCC1(O)CC1 DY576975 [0,1,0,1,0,0|2,0,0]=4 432 B7R1.21 OCCC1(F)CC1 DY585233 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.22 NCC(O)C1CC1 DY608201 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,1,0,1,0,0|1,0,0]=3 437 B7R1.22 O=C(CO)C1CC1 DY758275 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.27 CCC1(C)ON1C DY549645 [0,1,0,1,0,0|2,0,0]=4 439 B7R1.12 C[C@H]1C[C@H]1B(O)O DY705817 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.16 C[C@]1(N)C[C@@H](O)C1 DY103487 [0,1,0,1,0,0|1,0,0]=3 441 B7R1.18 CN(C)C1CNC1 DY520779 [0,1,0,1,0,0|1,0,0]=3 442 B7R1.18 CN(C)C1CNC1 NO15992 [0,1,0,1,0,0|1,0,0]=3 443 B7R1.18 C[C@@H](O)C1COC1 DY586622 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.18 C[C@H](O)C1COC1 DY586621 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.23 CC1(C)CC1CN DY611072 [0,1,0,1,0,0|2,0,0]=4 446 B7R1.23 CC1(C)C[C@@H]1CN DY623445 [0,1,0,1,0,0|2,0,0]=4 447 B7R1.23 OCC1CC1(Cl)Cl DY559083 [0,1,0,1,0,0|2,0,0]=4 448 B7R1.7 CCNCC1CC1 DY606135 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.7 CNCCC1CC1 DY758521 [0,1,0,1,0,0|2,0,0]=4 450 B7R1.7 N#CCCC1CC1 DY558495 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.7 OCCC[C@@H]1CO1 DY536067 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.14 CC1(Br)CCCC1 DY585925 [0,1,0,1,0,0|2,0,0]=4 453 B7R1.14 CC1(C)COCN1 DY557637 [0,1,0,1,0,0|2,0,0]=4 454 B7R1.14 CC1(C)NCCS1 NO22651 [0,1,0,1,0,0|1,1,0]=4 455 B7R1.14 CC1(C)OCCO1 DY822372 [0,1,0,1,0,0|1,0,0]=3 456 B7R1.14 CC1(N)CCCC1 DY502389 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,1,0,0|2,0,0]=4 458 B7R2.5 BrC12CC(C1)C2 DY516363 [0,0,0,2,0,0|2,0,0]=4 459 B7R2.5 NC12CC(C1)C2 DY542163 [0,0,0,2,0,0|2,0,0]=4