0 B5R0.1 C=C(C)CCBr NO14513 [0,0,0,0,0,0|1,0,2]=3 1 B5R0.1 CC(C)=CCBr DY41900 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(C)=CCCl DY460578 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 CC(C)=C[SiH2]Cl DY822351 [0,0,0,0,0,0|1,1,2]=4 4 B5R0.1 CC(C)CC=O NO11530 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.1 CC(C)CCBr DY460632 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 CC(N)CCO NO22096 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CC(O)CON NO17735 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.1 CCCB(O)O NO14802 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 CCCC(=O)[O-] DY822775 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 CCCC(C)=O NO21731 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CCCC(C)O DY741013 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 CCNC(C)=O DY564051 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 CCOC(C)=N DY500026 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.1 CN(C)CC=O DY558327 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CN(C)CC=O NO17734 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.1 CN(C)CCBr NO10949 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 CN(C)CCCl NO14471 [0,0,0,0,0,0|2,0,0]=2 18 B5R0.1 CN(C)CCN NO18603 [0,0,0,0,0,0|1,0,0]=1 19 B5R0.1 CN(C)CCO NO11733 [0,0,0,0,0,0|2,0,0]=2 20 B5R0.1 COCC(C)O NO20741 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 COC[C@@H](C)O NO20249 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 COC[C@H](C)N DY623421 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 COC[C@H](C)O NO20309 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 C[C@@H](N)CCO NO14355 [0,0,0,0,0,0|2,0,0]=2 25 B5R0.1 C[C@H](N)CCO DY625189 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 C[C@H](N)CCO NO14356 [0,0,0,0,0,0|2,0,0]=2 27 B5R0.1 C[C@H](O)CC#N DY625225 [0,0,0,0,0,0|1,0,2]=3 28 B5R0.1 C\C=C\[C@H](C)O DY791877 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.1 FCCC(F)F DY793407 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 NCCC(=O)O NO13499 [0,0,0,0,0,0|2,0,1]=3 31 B5R0.1 PCCC(Cl)Cl DY527415 [0,0,0,0,0,0|2,1,0]=3 32 B4R0.1 CC(=O)CBr DY20986 [1,0,0,0,0,0|2,0,1]=4 33 B4R0.1 CC(=O)CN NO10921 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC(=O)CO NO11467 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 CC(=O)NN NO10881 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(C)=NO NO10884 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(C)CO DY740701 [1,0,0,0,0,0|1,0,0]=2 38 B4R0.1 CC(C)NN NO11525 [1,0,0,0,0,0|1,0,0]=2 39 B4R0.1 CC(C)ON NO13668 [1,0,0,0,0,0|1,0,0]=2 40 B4R0.1 CC(Cl)CCl DY822285 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.1 CC(N)C#N DY568905 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.1 CC(N)C#N DY741121 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CC(N)CO NO21310 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(O)CCl DY586846 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CCB(O)O NO13979 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.1 CCC(C)I DY740911 [1,0,0,0,0,0|1,0,0]=2 47 B4R0.1 CCC(N)=O NO11886 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CCP(Cl)Cl DY525741 [1,0,0,0,0,0|3,0,0]=4 49 B4R0.1 C[C@@H](Cl)CO NO20251 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@@H](N)CN DY10147 [1,0,0,0,0,0|1,0,0]=2 51 B4R0.1 C[C@@H](N)CO NO14182 [1,0,0,0,0,0|2,0,0]=3 52 B4R0.1 C[C@@H](O)CCl DY20696 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 C[C@@H](O)CO DY20330 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 C[C@H](N)CN NO20323 [1,0,0,0,0,0|1,0,0]=2 55 B4R0.1 C[C@H](N)CO DY624919 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 C[C@H](N)CO NO19476 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.1 C[C@H](O)C#N DY822232 [1,0,0,0,0,0|1,0,2]=4 58 B4R0.1 C[C@H](O)CCl DY20697 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 C[C@H](O)CN NO14075 [1,0,0,0,0,0|1,0,0]=2 60 B4R0.1 C\C=C(/C)Br DY10255 [1,0,0,0,0,0|1,0,2]=4 61 B4R0.1 C\N=[N+](/C)[O-] DY544839 [1,0,0,0,0,0|3,0,0]=4 62 B4R0.1 NCC(=O)O NO19951 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 NCC(=O)[O-] DY20522 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.1 NCC(=O)[O-] DY795873 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.1 NCC(=O)[O-] NO10910 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 NCC(N)=O NO13806 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 OCC(F)F NO20974 [1,0,0,0,0,0|3,0,0]=4 68 B4R0.2 BrCCCBr DY459264 [1,0,0,0,0,0|2,0,0]=3 69 B4R0.2 C#CCCI DY554547 [1,0,0,0,0,0|1,0,2]=4 70 B4R0.2 C#CCCO DY580491 [1,0,0,0,0,0|1,0,2]=4 71 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|0,0,2]=3 72 B4R0.2 CCCCBr DY460620 [1,0,0,0,0,0|1,0,0]=2 73 B4R0.2 CCNCC NO11240 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 CNCC#N NO19888 [1,0,0,0,0,0|1,0,2]=4 75 B4R0.2 CNCCBr DY584482 [1,0,0,0,0,0|2,0,0]=3 76 B4R0.2 CNCCO NO20910 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|2,0,0]=3 79 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|1,0,0]=2 80 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|2,0,0]=3 81 B4R0.2 CSCSC DY528795 [1,0,0,0,0,0|3,0,0]=4 82 B4R0.2 FCCCF DY822298 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 ICCCI DY564171 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 N#CCCBr NO22188 [1,0,0,0,0,0|1,0,2]=4 85 B4R0.2 N#CCCN DY526113 [1,0,0,0,0,0|1,0,1]=3 86 B4R0.2 NCCCBr NO22190 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.2 OCCCF DY822290 [1,0,0,0,0,0|2,0,0]=3 88 B4R0.2 SCCCS DY740347 [1,0,0,0,0,0|2,0,0]=3 89 B4R0.2 [Li]CCCC DY790335 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.1 C=CC(O)CCN DY787899 [0,1,0,0,0,0|1,0,1]=3 91 B6R0.1 CC(CN)CCN DY791871 [0,1,0,0,0,0|0,0,0]=1 92 B6R0.1 CCCC(C)CBr DY112368 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.1 CCCC(O)CO NO20495 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.1 COC(=N)CCCl DY799605 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 COC(=O)CCCl DY741043 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 COC(=O)CCN NO22266 [0,1,0,0,0,0|1,0,1]=3 97 B6R0.1 N#CCC(O)CCl DY504207 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.1 N#CC[C@H](O)CCl NO22599 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.1 NCCC(O)CO DY608108 [0,1,0,0,0,0|1,0,0]=2 100 B6R0.1 OC(CBr)CCBr DY740743 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.2 CC(=O)NC(C)C DY461094 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.2 CC(C)=CC(N)=O DY795567 [0,1,0,0,0,0|0,0,3]=4 103 B6R0.2 CC(C)CB(O)O NO22276 [0,1,0,0,0,0|2,0,0]=3 104 B6R0.2 CC(C)CC(C)N DY822361 [0,1,0,0,0,0|0,0,0]=1 105 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.2 CC(O)CN(C)C DY741373 [0,1,0,0,0,0|2,0,0]=3 107 B6R0.2 CN(C)CC(=O)O NO13413 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.2 CP(C)CP(C)C DY565029 [0,1,0,0,0,0|3,0,0]=4 109 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,1,0,0,0,0|2,0,1]=4 110 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,1,0,0,0,0|2,0,1]=4 112 B6R0.2 C[C@@H](O)CN(C)C DY585675 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.3 CC(C)C(=O)CCl DY740659 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.3 CC(C)[C@@H](N)CO NO22659 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 CC(C)[C@H](N)CO NO17224 [0,1,0,0,0,0|1,0,0]=2 119 B6R0.3 CC(C)\C(N)=N\O DY574395 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.3 CN(C)C(=O)CBr NO14025 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.3 CN(C)C(=O)CCl DY545469 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.3 CN(C)C(=O)CN NO21306 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.3 COC(=O)C(C)C DY41931 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.3 NCC(N)C(=O)O DY702709 [0,1,0,0,0,0|2,0,1]=4 125 B6R0.3 NCC(N)C(=O)O DY703093 [0,1,0,0,0,0|2,0,1]=4 126 B6R0.3 NCC(N)C(=O)O NO19624 [0,1,0,0,0,0|2,0,1]=4 127 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,1,0,0,0,0|2,0,1]=4 128 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [0,1,0,0,0,0|2,0,1]=4 129 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,1,0,0,0,0|2,0,1]=4 130 B6R0.4 C=COCC(C)C DY822723 [0,1,0,0,0,0|1,0,1]=3 131 B6R0.4 CC(=O)CCCBr NO10305 [0,1,0,0,0,0|2,0,1]=4 132 B6R0.4 CC(=O)CCCCl NO10334 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.4 CC(=O)NCCCl DY33011 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.4 CC(C)=CC[Zn]Cl DY116080 [0,1,0,0,0,0|1,0,2]=4 135 B6R0.4 CC(C)CCCBr DY740443 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.4 CC(C)NCCN DY20461 [0,1,0,0,0,0|0,0,0]=1 137 B6R0.4 CCCCC(C)O DY740779 [0,1,0,0,0,0|2,0,0]=3 138 B6R0.4 CCCC[SiH](C)C DY500283 [0,1,0,0,0,0|1,1,0]=3 139 B6R0.4 CCNCC(C)C DY564723 [0,1,0,0,0,0|1,0,0]=2 140 B6R0.4 CN(C)CCCBr NO22184 [0,1,0,0,0,0|2,0,0]=3 141 B6R0.4 CN(C)CCCCl NO13505 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.4 CN(C)CCCCl NO14943 [0,1,0,0,0,0|2,0,0]=3 143 B6R0.4 CNCCC(C)C DY543681 [0,1,0,0,0,0|0,0,0]=1 144 B6R0.4 CNCCC(C)C DY553713 [0,1,0,0,0,0|0,0,0]=1 145 B6R0.4 CNCCN(C)C NO11723 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.4 CNCCN(C)C NO15131 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.4 CSCCC(C)=O DY740809 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.4 NCCCC(=O)O NO14998 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.4 NCCNC(=O)O DY822495 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.5 CC(C)(C)CC=O DY20142 [0,1,0,0,0,0|1,0,1]=3 151 B6R0.5 CC(C)(C)CCO NO21905 [0,1,0,0,0,0|1,0,0]=2 152 B6R0.5 CC(C)(O)CCBr NO15788 [0,1,0,0,0,0|1,0,0]=2 153 B6R0.5 C[Si](C)(C)CCN DY789417 [0,1,0,0,0,0|0,1,0]=2 154 B6R0.5 C[Si](C)(C)CCO DY546735 [0,1,0,0,0,0|1,1,0]=3 155 B6R0.5 FC(F)(F)CCI DY20958 [0,1,0,0,0,0|3,0,0]=4 156 B6R0.5 NCCC(F)(F)F NO14596 [0,1,0,0,0,0|2,0,0]=3 157 B6R0.5 NCCS(N)(=O)=O DY798819 [0,1,0,0,0,0|3,0,0]=4 158 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.2 C=C1CCSC1 DY523665 [0,0,0,1,0,0|1,0,2]=4 160 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 CC1CCCN1 NO21699 [0,0,0,1,0,0|2,0,0]=3 162 B6R1.2 CC1CCCN1 NO21700 [0,0,0,1,0,0|2,0,0]=3 163 B6R1.2 CC1CCCO1 DY20580 [0,0,0,1,0,0|2,0,0]=3 164 B6R1.2 CC1CCNC1 DY667237 [0,0,0,1,0,0|0,0,0]=1 165 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,0,0,1,0,0|2,0,0]=3 166 B6R1.2 C[C@H]1CCCN1 NO18800 [0,0,0,1,0,0|2,0,0]=3 167 B6R1.2 C[C@H]1CCCN1 NO19735 [0,0,0,1,0,0|2,0,0]=3 168 B6R1.2 FC1CCNC1 NO12894 [0,0,0,1,0,0|1,0,0]=2 169 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,1,0,0|1,0,0]=2 170 B6R1.2 NC1CC=CC1 NO19415 [0,0,0,1,0,0|2,0,1]=4 171 B6R1.2 NC1CCNC1 DY572169 [0,0,0,1,0,0|1,0,0]=2 172 B6R1.2 NC1CCOC1 NO12010 [0,0,0,1,0,0|2,0,0]=3 173 B6R1.2 NN1CCCC1 DY564555 [0,0,0,1,0,0|3,0,0]=4 174 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,0,0,1,0,0|2,0,0]=3 175 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,0,0,1,0,0|2,0,0]=3 176 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,1,0,0|1,0,0]=2 177 B6R1.2 N[C@H]1CCOC1 DY626689 [0,0,0,1,0,0|2,0,0]=3 178 B6R1.2 N[C@H]1CCOC1 NO20366 [0,0,0,1,0,0|2,0,0]=3 179 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.2 O=C1CCNC1 NO22412 [0,0,0,1,0,0|1,0,1]=3 181 B6R1.2 O=C1CCOC1 NO18178 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.2 OC1CC=CC1 DY10342 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,1,0,0|1,0,0]=2 185 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,1,0,0|1,0,0]=2 186 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,1,0,0|2,0,0]=3 187 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,0,0,1,0,0|2,0,0]=3 188 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,1,0,0|1,0,0]=2 189 B6R1.2 SC1CCOC1 DY789441 [0,0,0,1,0,0|2,0,0]=3 190 B6R1.3 ICCC1CC1 DY549405 [0,0,0,1,0,0|1,0,0]=2 191 B6R1.3 N#CCC1CC1 DY433947 [0,0,0,1,0,0|0,0,2]=3 192 B6R1.3 NNCC1CC1 DY509474 [0,0,0,1,0,0|1,0,0]=2 193 B6R1.3 NNCC1CC1 DY586553 [0,0,0,1,0,0|1,0,0]=2 194 B6R1.3 OCCN1CC1 DY505047 [0,0,0,1,0,0|2,0,0]=3 195 B6R1.5 CC1CC(N)C1 DY105778 [0,0,0,1,0,0|0,0,0]=1 196 B6R1.5 CC1CC(O)C1 DY539301 [0,0,0,1,0,0|1,0,0]=2 197 B6R1.5 CN1CC(=O)C1 DY533589 [0,0,0,1,0,0|2,0,1]=4 198 B6R1.5 CN1CC(N)C1 DY444125 [0,0,0,1,0,0|1,0,0]=2 199 B6R1.5 NC1CC(=O)C1 DY444232 [0,0,0,1,0,0|1,0,1]=3 200 B6R1.5 NC1CC(=O)C1 DY756175 [0,0,0,1,0,0|1,0,1]=3 201 B6R1.5 NC1CC(N)C1 DY103595 [0,0,0,1,0,0|1,0,0]=2 202 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [0,0,0,1,0,0|1,0,0]=2 203 B6R1.8 COC1CC1N DY503985 [0,0,0,1,0,0|3,0,0]=4 204 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [0,0,0,1,0,0|2,0,0]=3 205 B6R1.8 OCC1C[C@@H]1F DY102848 [0,0,0,1,0,0|2,0,0]=3 206 B6R1.10 CC1(N)COC1 DY444292 [0,0,0,1,0,0|3,0,0]=4 207 B6R1.10 CC1(N)COC1 NO14859 [0,0,0,1,0,0|3,0,0]=4 208 B6R1.10 CC1(N)CSC1 DY113158 [0,0,0,1,0,0|3,0,0]=4 209 B6R1.10 CC1(O)CNC1 NO15502 [0,0,0,1,0,0|3,0,0]=4 210 B6R1.11 CC(C)C1CO1 DY791517 [0,0,0,1,0,0|1,0,0]=2 211 B6R1.11 CC(N)C1CC1 DY528885 [0,0,0,1,0,0|2,0,0]=3 212 B6R1.11 CC(O)C1CC1 DY757429 [0,0,0,1,0,0|2,0,0]=3 213 B6R1.11 C[C@H](N)C1CC1 DY623903 [0,0,0,1,0,0|2,0,0]=3 214 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|0,0,2]=4 215 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|1,0,0]=3 216 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|1,0,0]=3 217 B3R0.1 CNOC NO13986 [2,0,0,0,0,0|2,0,0]=4 218 B3R0.1 CSCCl DY584302 [2,0,0,0,0,0|2,0,0]=4 219 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|1,0,0]=3 220 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|1,0,0]=3 221 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|1,0,0]=3 222 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|1,0,0]=3 223 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|1,0,0]=3 224 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|1,0,0]=3 225 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|1,0,0]=3 226 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|2,0,0]=4 227 B3R0.1 SCCS DY20652 [2,0,0,0,0,0|2,0,0]=4 228 B3R0.2 CC(C)Br DY41864 [2,0,0,0,0,0|1,0,0]=3 229 B3R0.2 CC(C)I DY742309 [2,0,0,0,0,0|1,0,0]=3 230 B3R0.2 CC(C)[O-] DY822961 [2,0,0,0,0,0|1,0,0]=3 231 B3R0.2 CN(C)C DY460488 [2,0,0,0,0,0|1,0,0]=3 232 B3R0.2 CS(C)=O DY506586 [2,0,0,0,0,0|2,0,0]=4 233 B3R0.2 C[PH](C)=O DY21075 [2,0,0,0,0,0|2,0,0]=4 234 B3R0.2 C[S+](C)C DY794205 [2,0,0,0,0,0|1,0,0]=3 235 B3R0.2 C[SiH](C)Cl DY822313 [2,0,0,0,0,0|1,1,0]=4 236 B5R0.3 CCC(=O)OC DY460566 [1,1,0,0,0,0|1,0,1]=4 237 B5R0.3 CCC(Br)C#N DY789951 [1,1,0,0,0,0|1,0,1]=4 238 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|1,0,0]=3 239 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|1,0,0]=3 241 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.3 CCN(O)CC DY551655 [1,1,0,0,0,0|2,0,0]=4 243 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|1,0,0]=3 244 B5R0.3 CC[C@H](C)C#N DY822231 [1,1,0,0,0,0|0,0,1]=3 245 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|1,0,0]=3 246 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|1,0,0]=3 247 B5R0.3 CNC(=O)CN DY437710 [1,1,0,0,0,0|1,0,1]=4 248 B5R0.3 CNC(=O)CN DY542271 [1,1,0,0,0,0|1,0,1]=4 249 B5R0.3 COC(=O)CN NO15045 [1,1,0,0,0,0|1,0,1]=4 250 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|0,0,0]=2 251 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|0,0,0]=2 252 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|1,0,0]=3 253 B5R0.3 NC(CO)CO NO18352 [1,1,0,0,0,0|2,0,0]=4 254 B5R0.3 NCC(O)CN NO14232 [1,1,0,0,0,0|1,0,0]=3 255 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|1,0,0]=3 256 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.3 NC[C@H](O)CCl DY427329 [1,1,0,0,0,0|1,0,0]=3 258 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.3 OC[C@@H](O)CCl NO15061 [1,1,0,0,0,0|2,0,0]=4 260 B5R0.3 OC[C@H](O)CCl DY20314 [1,1,0,0,0,0|2,0,0]=4 261 B5R0.4 C#CC(C)(C)Cl DY460572 [1,1,0,0,0,0|0,0,2]=4 262 B5R0.4 C=CC(C)(C)Br DY575625 [1,1,0,0,0,0|0,0,2]=4 263 B5R0.4 C=CC(C)(C)C DY822271 [1,1,0,0,0,0|0,0,2]=4 264 B5R0.4 CC(C)(Br)CBr DY796695 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.4 CC(C)(C)C#N DY10368 [1,1,0,0,0,0|0,0,2]=4 266 B5R0.4 CC(C)(C)CN NO11775 [1,1,0,0,0,0|0,0,0]=2 267 B5R0.4 CC(C)(C)N=O DY822750 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.4 CC(C)(C)OO DY741391 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.4 CC(C)(C)[Mg]Cl DY566799 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.4 CC(C)(N)C#N DY536241 [1,1,0,0,0,0|0,0,2]=4 271 B5R0.4 CC(C)(N)C#N NO15395 [1,1,0,0,0,0|0,0,2]=4 272 B5R0.4 CC(C)(O)CN NO20593 [1,1,0,0,0,0|0,0,0]=2 273 B5R0.4 CCC(C)(C)[O-] DY822652 [1,1,0,0,0,0|0,0,0]=2 274 B5R0.4 CCC(C)(C)[O-] DY822653 [1,1,0,0,0,0|0,0,0]=2 275 B5R0.5 CC(=O)C(C)C DY740329 [1,1,0,0,0,0|0,0,1]=3 276 B5R0.5 CC(=O)C(C)Cl DY740749 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.5 CC(C)B(O)O DY454222 [1,1,0,0,0,0|2,0,0]=4 278 B5R0.5 CC(C)C(N)=O NO21696 [1,1,0,0,0,0|0,0,1]=3 279 B5R0.5 CC(O)C(N)=O DY538347 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.5 C[C@@H](N)C(N)=O NO15732 [1,1,0,0,0,0|1,0,1]=4 281 B5R0.5 C[C@H](N)C(N)=O NO22529 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.5 C[C@H](O)C(N)=O DY624997 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.2 C=CCCCBr DY460284 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.2 CCC#CCC DY740797 [1,1,0,0,0,0|1,0,1]=4 285 B5R0.2 CCCCCBr NO20657 [1,1,0,0,0,0|1,0,0]=3 286 B5R0.2 CCCC[Mg]Cl DY567561 [1,1,0,0,0,0|1,0,0]=3 287 B5R0.2 CCOCCBr NO21396 [1,1,0,0,0,0|1,0,0]=3 288 B5R0.2 CC\C=C\CO DY527871 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.2 CNCCC#N NO22369 [1,1,0,0,0,0|0,0,2]=4 290 B5R0.2 CNCCCO NO14200 [1,1,0,0,0,0|1,0,0]=3 291 B5R0.2 CNCCNC NO15116 [1,1,0,0,0,0|1,0,0]=3 292 B5R0.2 COCCC#N NO22345 [1,1,0,0,0,0|0,0,2]=4 293 B5R0.2 COCCCBr NO20649 [1,1,0,0,0,0|1,0,0]=3 294 B5R0.2 COCCCO NO20039 [1,1,0,0,0,0|1,0,0]=3 295 B5R0.2 COCCOC DY546591 [1,1,0,0,0,0|2,0,0]=4 296 B5R0.2 CSCCCO DY557199 [1,1,0,0,0,0|1,0,0]=3 297 B5R0.2 C\C=C\CCO DY799773 [1,1,0,0,0,0|1,0,1]=4 298 B5R0.2 FCCCCF DY822299 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.2 N#CCCCN DY548775 [1,1,0,0,0,0|0,0,1]=3 300 B5R0.2 NCCCCBr NO14979 [1,1,0,0,0,0|0,0,0]=2 301 B5R0.2 NCCCCN NO19906 [1,1,0,0,0,0|0,0,0]=2 302 B5R0.2 OCCCCF DY822291 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.2 CC(C)CC(=O)CN DY540483 [0,2,0,0,0,0|0,0,0]=2 304 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,2,0,0,0,0|0,0,0]=2 305 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,2,0,0,0,0|0,0,0]=2 306 B7R0.2 CC(C)NC(=O)CN DY605375 [0,2,0,0,0,0|0,0,1]=3 307 B7R0.2 CC(C)OC(=O)CO NO11522 [0,2,0,0,0,0|1,0,1]=4 308 B7R0.2 CN(C)CC(N)CO DY533205 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.2 CN(C)CC(O)CO NO15349 [0,2,0,0,0,0|2,0,0]=4 310 B7R0.2 CNC(C)CC(=O)O DY606375 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.3 C#CCC[C@H](N)CO DY516333 [0,2,0,0,0,0|2,0,0]=4 314 B7R0.3 CCCCC(O)CO DY567525 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.3 CCCOC(C)CN DY605531 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.3 CCN(C)CCCO DY604490 [0,2,0,0,0,0|2,0,0]=4 317 B7R0.3 NCC(Cl)CCCCl DY822547 [0,2,0,0,0,0|2,0,0]=4 318 B7R0.5 CC(C)N(C)CCN DY604213 [0,2,0,0,0,0|0,0,0]=2 319 B7R0.5 CCCC(=O)N(C)C DY584357 [0,2,0,0,0,0|2,0,0]=4 320 B7R0.5 CCCC(C)C(C)=O DY740965 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.5 CCOC(=O)C(C)C NO11388 [0,2,0,0,0,0|1,0,1]=4 322 B7R0.5 CN(C)C(=O)CCO DY606315 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.5 NCCC(N)C(=O)O DY700789 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.5 NCCC(N)C(=O)O NO15080 [0,2,0,0,0,0|1,0,1]=4 325 B7R0.5 NCCC(O)C(=O)O NO15496 [0,2,0,0,0,0|1,0,1]=4 326 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,2,0,0,0,0|1,0,1]=4 327 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,2,0,0,0,0|1,0,1]=4 328 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,2,0,0,0,0|1,0,1]=4 329 B7R0.7 CCOC(=O)CCN NO14330 [0,2,0,0,0,0|1,0,1]=4 330 B7R0.10 CCC(C)[C@H](N)C#N DY620666 [0,2,0,0,0,0|0,0,2]=4 331 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.10 COC(C)C(=O)NN DY604048 [0,2,0,0,0,0|1,0,1]=4 333 B7R0.10 OC(CBr)C(O)CBr DY523851 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.11 C[N+](C)(CF)CCO DY795621 [0,2,0,0,0,0|2,0,0]=4 335 B7R0.12 CCN(CC)CCBr DY504939 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.12 CCN(CC)CCN DY21046 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.12 CCOC(CC)CN DY605537 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.12 COCC(OC)OC DY822270 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.9 CC(=O)CC(C)(C)O DY740611 [0,2,0,0,0,0|1,0,1]=4 340 B7R0.9 CC(C)(C)CC(=O)Cl DY568221 [0,2,0,0,0,0|1,0,1]=4 341 B7R0.9 CC(C)(C)CC(=O)O NO22814 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.9 CC(C)(C)OC(N)=O NO11993 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.9 CC(C)(N)CC(=O)O NO14805 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.9 CC(C)(N)CC(=O)O NO17039 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.9 CC(C)(O)CC(=O)[O-] DY791319 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.9 CN(C)CC(C)(C)O DY41894 [0,2,0,0,0,0|2,0,0]=4 347 B7R0.9 C[C@@H](N)CC(F)(F)F DY721687 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.9 C[C@H](N)CC(F)(F)F DY585287 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.16 CC(C)C(N)C(C)C NO17730 [0,2,0,0,0,0|1,0,0]=3 350 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [0,2,0,0,0,0|0,0,1]=3 351 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O DY438202 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.13 CC(C)(CN)C(F)F DY536529 [0,2,0,0,0,0|2,0,0]=4 354 B7R0.13 CC(C)C(C)(N)C#N NO21220 [0,2,0,0,0,0|0,0,2]=4 355 B7R0.14 CC(C)(F)C(=O)CBr DY569355 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.14 CC(CN)C(F)(F)F DY722323 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.14 NCC(O)C(F)(F)F DY554571 [0,2,0,0,0,0|2,0,0]=4 358 B7R0.4 CC(C)OCCCN DY546693 [0,2,0,0,0,0|0,0,0]=2 359 B7R0.4 CC(O)COCCN DY560097 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.4 CCCCCC(C)O NO21570 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.4 CN(C)CCCCCl DY551337 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.4 CN(C)CCCCO NO22813 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.4 CNCCCN(C)C DY584479 [0,2,0,0,0,0|1,0,0]=3 364 B7R0.6 CC(Br)CCC(C)Br DY793473 [0,2,0,0,0,0|2,0,0]=4 365 B7R0.6 CC(C)CCC(=N)N DY611066 [0,2,0,0,0,0|0,0,0]=2 366 B7R0.6 CN(C)CCC(=O)O NO12169 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.6 C[C@@H](O)CC[C@@H](C)O DY459360 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.8 CC(C)(C)OCCO DY570549 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.8 CC(C)(C)SCCN DY796767 [0,2,0,0,0,0|0,0,0]=2 370 B7R0.8 CCNNC(C)(C)C DY743065 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|0,0,0]=2 372 B7R0.8 C[N+](C)(C)CCCBr NO20170 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.8 NCCCC(F)(F)F DY798333 [0,2,0,0,0,0|2,0,0]=4 374 B7R0.8 NCCOC(F)(F)F DY548919 [0,2,0,0,0,0|2,0,0]=4 375 B5R1.2 BrC1COC1 DY425330 [1,0,0,1,0,0|2,0,0]=4 376 B5R1.2 CC1CNC1 NO13089 [1,0,0,1,0,0|0,0,0]=2 377 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|1,0,0]=3 378 B5R1.2 ClC1CCC1 DY756391 [1,0,0,1,0,0|1,0,0]=3 379 B5R1.2 ClC1CNC1 DY586642 [1,0,0,1,0,0|1,0,0]=3 380 B5R1.2 FC1CNC1 NO22297 [1,0,0,1,0,0|1,0,0]=3 381 B5R1.2 IC1CNC1 DY444286 [1,0,0,1,0,0|1,0,0]=3 382 B5R1.2 IC1COC1 DY10503 [1,0,0,1,0,0|2,0,0]=4 383 B5R1.2 NC1COC1 NO22388 [1,0,0,1,0,0|2,0,0]=4 384 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|1,0,1]=4 385 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|1,0,0]=3 386 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|1,0,0]=3 387 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|2,0,0]=4 388 B5R1.3 BrCC1CC1 DY10481 [1,0,0,1,0,0|1,0,0]=3 389 B5R1.3 BrCC1CO1 DY822350 [1,0,0,1,0,0|2,0,0]=4 390 B5R1.3 BrC[C@H]1CO1 DY822260 [1,0,0,1,0,0|2,0,0]=4 391 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|1,0,0]=3 392 B5R1.3 CNC1CC1 NO13160 [1,0,0,1,0,0|1,0,0]=3 393 B5R1.3 ClCC1CC1 NO19956 [1,0,0,1,0,0|1,0,0]=3 394 B5R1.3 ClC[C@@H]1CO1 DY20322 [1,0,0,1,0,0|2,0,0]=4 395 B5R1.3 ClC[C@H]1CO1 DY557877 [1,0,0,1,0,0|2,0,0]=4 396 B5R1.3 NCC1CC1 NO18907 [1,0,0,1,0,0|0,0,0]=2 397 B5R1.3 NNC1CC1 NO15677 [1,0,0,1,0,0|1,0,0]=3 398 B5R1.3 NNC1CC1 NO18095 [1,0,0,1,0,0|1,0,0]=3 399 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|1,0,0]=3 400 B5R1.4 N[C@@H]1C[C@@H]1F DY620136 [1,0,0,1,0,0|1,0,0]=3 401 B5R1.4 N[C@@H]1C[C@H]1N DY586552 [1,0,0,1,0,0|1,0,0]=3 402 B5R1.4 N[C@H]1C[C@@H]1F DY758461 [1,0,0,1,0,0|1,0,0]=3 403 B5R1.4 N[C@H]1C[C@@H]1N DY586558 [1,0,0,1,0,0|1,0,0]=3 404 B5R1.4 N[C@H]1C[C@H]1N DY586550 [1,0,0,1,0,0|1,0,0]=3 405 B5R1.5 CC1(N)CC1 NO15074 [1,0,0,1,0,0|1,0,0]=3 406 B5R1.1 C1=CCNC1 DY10278 [1,0,0,1,0,0|0,0,2]=4 407 B5R1.1 C1=CCNC1 DY798015 [1,0,0,1,0,0|0,0,2]=4 408 B5R1.1 C1CNNC1 NO16750 [1,0,0,1,0,0|1,0,0]=3 409 B5R1.1 C1COCO1 DY822673 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.1 BrCC1CCCC1 DY20145 [0,1,0,1,0,0|1,0,0]=3 411 B7R1.1 C#CC1CCCC1 DY822738 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.1 C#CC1CCOC1 DY103679 [0,1,0,1,0,0|1,0,1]=4 413 B7R1.1 CCC1CCCN1 DY738230 [0,1,0,1,0,0|2,0,0]=4 414 B7R1.1 CCC1CCNC1 DY585732 [0,1,0,1,0,0|0,0,0]=2 415 B7R1.1 CNC1CCCC1 DY757231 [0,1,0,1,0,0|1,0,0]=3 416 B7R1.1 CNC1CCOC1 DY579885 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.1 COC1CCCC1 DY459258 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.1 COC1CCNC1 NO22350 [0,1,0,1,0,0|0,0,0]=2 420 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,1,0,0|0,0,0]=2 421 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,1,0,0|0,0,0]=2 422 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,1,0,0|0,0,0]=2 423 B7R1.1 FC[C@@H]1CCCN1 DY100102 [0,1,0,1,0,0|2,0,0]=4 424 B7R1.1 N#C[C@H]1CCNC1 DY508184 [0,1,0,1,0,0|0,0,1]=3 425 B7R1.1 NCC1CCCC1 NO14873 [0,1,0,1,0,0|1,0,0]=3 426 B7R1.1 NCC1CCCN1 NO15469 [0,1,0,1,0,0|2,0,0]=4 427 B7R1.1 NC[C@H]1CCCN1 NO15745 [0,1,0,1,0,0|2,0,0]=4 428 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.1 NNC1CCCC1 DY543699 [0,1,0,1,0,0|2,0,0]=4 430 B7R1.1 O=CC1CCCC1 DY21048 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.1 OCC1CC=CC1 NO20734 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.1 OCC1CCCC1 NO11185 [0,1,0,1,0,0|1,0,0]=3 433 B7R1.1 OCC1CCCN1 DY556821 [0,1,0,1,0,0|2,0,0]=4 434 B7R1.1 OCC1CCCN1 DY668415 [0,1,0,1,0,0|2,0,0]=4 435 B7R1.1 OCC1CCCO1 DY20392 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,1,0,0|0,0,0]=2 437 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,1,0,0|0,0,0]=2 438 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,1,0,0|0,0,0]=2 439 B7R1.1 OC[C@@H]1CCCN1 NO22640 [0,1,0,1,0,0|2,0,0]=4 440 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,1,0,0|0,0,0]=2 441 B7R1.1 OC[C@H]1CCCN1 NO17003 [0,1,0,1,0,0|2,0,0]=4 442 B7R1.1 OC[C@H]1CCCO1 DY542355 [0,1,0,1,0,0|2,0,0]=4 443 B7R1.2 CC1CCC(=O)N1 DY505299 [0,1,0,1,0,0|2,0,0]=4 444 B7R1.2 CC1CCC(C)N1 DY585723 [0,1,0,1,0,0|2,0,0]=4 445 B7R1.2 CN1CCC(=O)C1 NO20760 [0,1,0,1,0,0|1,0,1]=4 446 B7R1.2 CN1CC[C@@H](N)C1 DY626972 [0,1,0,1,0,0|1,0,0]=3 447 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,1,0,1,0,0|1,0,0]=3 448 B7R1.2 CN1CC[C@H](Cl)C1 DY625207 [0,1,0,1,0,0|1,0,0]=3 449 B7R1.2 CN1CC[C@H](N)C1 DY623927 [0,1,0,1,0,0|1,0,0]=3 450 B7R1.2 C[C@@H]1CC[C@@H](C)N1 DY102818 [0,1,0,1,0,0|2,0,0]=4 451 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,1,0,0|1,0,0]=3 452 B7R1.2 NC1CCC(O)C1 NO14798 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.2 N[C@@H]1CC[C@@H](F)C1 DY519405 [0,1,0,1,0,0|1,0,0]=3 454 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,1,0,1,0,0|1,0,0]=3 455 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,1,0,1,0,0|1,0,1]=4 456 B7R1.2 N[C@H]1CC[C@@H](F)C1 DY757213 [0,1,0,1,0,0|1,0,0]=3 457 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,1,0,1,0,0|1,0,0]=3 459 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,1,0,1,0,0|1,0,1]=4 460 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,1,0,1,0,0|1,0,1]=4 461 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,1,0,1,0,0|1,0,1]=4 462 B7R1.2 O=C1CC(O)CN1 NO14706 [0,1,0,1,0,0|1,0,1]=4 463 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,1,0,1,0,0|1,0,1]=4 464 B7R1.3 BrC1CCCCC1 NO11079 [0,1,0,1,0,0|2,0,0]=4 465 B7R1.3 BrC1CCNCC1 NO18356 [0,1,0,1,0,0|1,0,0]=3 466 B7R1.3 BrC1CCOCC1 NO18193 [0,1,0,1,0,0|2,0,0]=4 467 B7R1.3 CC1C=CCCO1 DY560079 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.3 CC1CCCCN1 DY20418 [0,1,0,1,0,0|1,0,0]=3 469 B7R1.3 CC1CNCCN1 NO13503 [0,1,0,1,0,0|0,0,0]=2 470 B7R1.3 CC1CNCCO1 NO21692 [0,1,0,1,0,0|0,0,0]=2 471 B7R1.3 CC1COCCN1 NO22371 [0,1,0,1,0,0|1,0,0]=3 472 B7R1.3 CN1CC=CCC1 NO20742 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.3 CN1CCNCC1 DY20458 [0,1,0,1,0,0|1,0,0]=3 474 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,1,0,1,0,0|0,0,0]=2 475 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,1,0,1,0,0|0,0,0]=2 476 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,1,0,1,0,0|0,0,0]=2 477 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,1,0,1,0,0|0,0,0]=2 478 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,1,0,1,0,0|0,0,0]=2 481 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,1,0,1,0,0|0,0,0]=2 482 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,1,0,1,0,0|0,0,0]=2 483 B7R1.3 C[C@H]1COCCN1 DY20820 [0,1,0,1,0,0|1,0,0]=3 484 B7R1.3 C[C@H]1COCCN1 NO22413 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.3 ClC1CCCOC1 DY586426 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.3 FC1CCNCC1 NO22845 [0,1,0,1,0,0|1,0,0]=3 487 B7R1.3 IC1CCNCC1 DY638708 [0,1,0,1,0,0|1,0,0]=3 488 B7R1.3 IC1CCOCC1 NO18194 [0,1,0,1,0,0|2,0,0]=4 489 B7R1.3 NC1CCCNC1 NO22655 [0,1,0,1,0,0|1,0,0]=3 490 B7R1.3 NC1CCOCC1 NO16997 [0,1,0,1,0,0|2,0,0]=4 491 B7R1.3 NC1CCSCC1 DY541371 [0,1,0,1,0,0|2,0,0]=4 492 B7R1.3 N[C@@H]1CCCNC1 NO17178 [0,1,0,1,0,0|1,0,0]=3 493 B7R1.3 N[C@@H]1CCCOC1 DY517515 [0,1,0,1,0,0|2,0,0]=4 494 B7R1.3 N[C@H]1CCCNC1 NO17182 [0,1,0,1,0,0|1,0,0]=3 495 B7R1.3 O=C1CCCNC1 DY557319 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.3 O=C1CCCNC1 NO17767 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.3 O=C1CNCCN1 NO19142 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.3 O=S1CCNCC1 DY570699 [0,1,0,1,0,0|2,0,0]=4 499 B7R1.3 OC1C=CCNC1 DY552951 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.3 OC1CCCNC1 NO22642 [0,1,0,1,0,0|1,0,0]=3 501 B7R1.3 OC1CCCOC1 NO17782 [0,1,0,1,0,0|2,0,0]=4 502 B7R1.3 OC1CCNCC1 NO22643 [0,1,0,1,0,0|1,0,0]=3 503 B7R1.3 OC1CCOCC1 NO13929 [0,1,0,1,0,0|2,0,0]=4 504 B7R1.3 OC1CCSCC1 NO12012 [0,1,0,1,0,0|2,0,0]=4 505 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,1,0,1,0,0|1,0,0]=3 506 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,1,0,1,0,0|1,0,0]=3 507 B7R1.3 SC1CCOCC1 DY107026 [0,1,0,1,0,0|2,0,0]=4 508 B7R1.4 BrC1CCCC1Br DY585689 [0,1,0,1,0,0|2,0,0]=4 509 B7R1.4 CC1CCCC1O DY757267 [0,1,0,1,0,0|1,0,0]=3 510 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,1,0,0|1,0,1]=4 511 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,1,0,1,0,0|0,0,1]=3 512 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,1,0,1,0,0|0,0,1]=3 513 B7R1.4 NC1CCCC1O NO19404 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.4 N[C@@H]1CCC[C@@H]1O NO18884 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.4 N[C@@H]1CCC[C@H]1O DY567117 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.4 N[C@@H]1CNC[C@H]1F DY585432 [0,1,0,1,0,0|1,0,0]=3 517 B7R1.4 N[C@@H]1COC[C@@H]1F DY539427 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.4 N[C@@H]1COC[C@H]1N DY444023 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.4 N[C@@H]1COC[C@H]1O DY105386 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.4 N[C@@H]1CSC[C@H]1O DY559281 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.4 N[C@H]1CCC[C@@H]1N DY620340 [0,1,0,1,0,0|2,0,0]=4 522 B7R1.4 N[C@H]1CCC[C@@H]1O NO15594 [0,1,0,1,0,0|2,0,0]=4 523 B7R1.4 N[C@H]1CCC[C@H]1O NO11147 [0,1,0,1,0,0|2,0,0]=4 524 B7R1.4 N[C@H]1COC[C@@H]1O DY586645 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.4 O=C1NCCC1O DY444274 [0,1,0,1,0,0|1,0,1]=4 526 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,1,0,1,0,0|1,0,1]=4 527 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,1,0,1,0,0|1,0,1]=4 528 B7R1.4 O[C@@H]1CCC[C@H]1F DY518337 [0,1,0,1,0,0|2,0,0]=4 529 B7R1.4 O[C@@H]1CCC[C@H]1O DY557241 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.4 O[C@@H]1CNC[C@@H]1F DY586649 [0,1,0,1,0,0|1,0,0]=3 531 B7R1.4 O[C@@H]1CNC[C@H]1F DY457961 [0,1,0,1,0,0|1,0,0]=3 532 B7R1.4 O[C@H]1CNC[C@@H]1O NO20186 [0,1,0,1,0,0|1,0,0]=3 533 B7R1.5 C=C1CC1CCO DY790953 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.5 CC1CC1N=C=O DY121381 [0,1,0,1,0,0|1,0,1]=4 535 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,1,0,1,0,0|1,0,0]=3 536 B7R1.6 C=CCC1CNC1 DY586612 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.6 CCOC1CNC1 DY577479 [0,1,0,1,0,0|2,0,0]=4 538 B7R1.6 OCCC1CCO1 DY551169 [0,1,0,1,0,0|1,0,0]=3 539 B7R1.8 CN1CCC1CN DY104666 [0,1,0,1,0,0|1,0,0]=3 540 B7R1.8 NCC1CCC1F DY528009 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.9 C#C[C@@H]1C[C@H]1CO DY586040 [0,1,0,1,0,0|1,0,1]=4 542 B7R1.9 N#CC1CC1CO DY757663 [0,1,0,1,0,0|0,0,2]=4 543 B7R1.9 NCC1CC1CO DY528789 [0,1,0,1,0,0|0,0,0]=2 544 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.10 CN1CC(CBr)C1 DY106288 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,1,0,0|1,0,0]=3 547 B7R1.10 CSC1CC(O)C1 DY536265 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.10 NCC1CC(=O)C1 DY522525 [0,1,0,1,0,0|1,0,1]=4 549 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,1,0,1,0,0|1,0,0]=3 550 B7R1.21 CCOC1(O)CC1 NO16017 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.21 NCCC1(O)CC1 DY576975 [0,1,0,1,0,0|0,0,0]=2 552 B7R1.21 OCCC1(F)CC1 DY585233 [0,1,0,1,0,0|1,0,0]=3 553 B7R1.22 C#C[C@@H](O)C1CC1 DY586257 [0,1,0,1,0,0|1,0,1]=4 554 B7R1.22 CCC(=O)C1CC1 DY566457 [0,1,0,1,0,0|1,0,1]=4 555 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,1,0,1,0,0|1,0,0]=3 556 B7R1.22 NCC(O)C1CC1 DY608201 [0,1,0,1,0,0|0,0,0]=2 557 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,1,0,1,0,0|0,0,0]=2 558 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,1,0,1,0,0|1,0,0]=3 559 B7R1.22 O=C(CO)C1CC1 DY758275 [0,1,0,1,0,0|1,0,1]=4 560 B7R1.25 CC1(CBr)COC1 NO22179 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.25 CC1(CCl)COC1 DY573177 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.25 CC1(CN)CNC1 DY586631 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.25 CC1(CN)COC1 NO22390 [0,1,0,1,0,0|2,0,0]=4 564 B7R1.25 CC1(CO)COC1 NO16968 [0,1,0,1,0,0|2,0,0]=4 565 B7R1.25 CC1(CS)COC1 DY115780 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.25 NCC1(F)CCC1 DY577221 [0,1,0,1,0,0|2,0,0]=4 567 B7R1.25 NCC1(N)CCC1 NO17914 [0,1,0,1,0,0|2,0,0]=4 568 B7R1.25 NCC1(O)CCC1 NO12835 [0,1,0,1,0,0|2,0,0]=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 B7R1.16 C[C@]1(N)C[C@@H](O)C1 DY103487 [0,1,0,1,0,0|1,0,0]=3 571 B7R1.16 NC1CC(F)(F)C1 NO21900 [0,1,0,1,0,0|1,0,0]=3 572 B7R1.16 NC1CS(=O)(=O)C1 DY577347 [0,1,0,1,0,0|2,0,0]=4 573 B7R1.20 N=C(N)NC1CC1 DY608746 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.17 NC1CCC1(F)F DY529689 [0,1,0,1,0,0|2,0,0]=4 575 B7R1.18 CC(F)C1CNC1 DY718768 [0,1,0,1,0,0|1,0,0]=3 576 B7R1.18 CC(O)C1CCC1 NO20672 [0,1,0,1,0,0|2,0,0]=4 577 B7R1.18 CN(C)C1CNC1 DY520779 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.18 CN(C)C1CNC1 NO15992 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.18 C[C@@H](O)C1COC1 DY586622 [0,1,0,1,0,0|2,0,0]=4 580 B7R1.18 C[C@H](N)C1CCC1 DY586624 [0,1,0,1,0,0|2,0,0]=4 581 B7R1.18 C[C@H](O)C1COC1 DY586621 [0,1,0,1,0,0|2,0,0]=4 582 B7R1.19 CC(C)C1(Cl)N=N1 DY770193 [0,1,0,1,0,0|1,0,1]=4 583 B7R1.23 CC1(C)CC1CN DY611072 [0,1,0,1,0,0|0,0,0]=2 584 B7R1.23 CC1(C)C[C@@H]1CN DY623445 [0,1,0,1,0,0|0,0,0]=2 585 B7R1.23 NC[C@H]1CC1(F)F DY758677 [0,1,0,1,0,0|1,0,0]=3 586 B7R1.23 OCC1CC1(Cl)Cl DY559083 [0,1,0,1,0,0|2,0,0]=4 587 B7R1.7 CCCC[C@H]1CO1 DY822259 [0,1,0,1,0,0|2,0,0]=4 588 B7R1.7 CCNCC1CC1 DY606135 [0,1,0,1,0,0|1,0,0]=3 589 B7R1.7 CNCCC1CC1 DY758521 [0,1,0,1,0,0|0,0,0]=2 590 B7R1.7 N#CCCC1CC1 DY558495 [0,1,0,1,0,0|0,0,1]=3 591 B7R1.7 OCCC[C@@H]1CO1 DY536067 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.7 S=C=NCC1CC1 DY796827 [0,1,0,1,0,0|1,0,1]=4 593 B7R1.14 CC1(Br)CCCC1 DY585925 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.14 CC1(C)COCN1 DY557637 [0,1,0,1,0,0|0,0,0]=2 595 B7R1.14 CC1(C)NCCS1 NO22651 [0,1,0,1,0,0|0,0,0]=2 596 B7R1.14 CC1(C)OCCO1 DY822372 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.14 CC1(N)CCCC1 DY502389 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,1,0,0|1,0,0]=3 599 B7R1.14 FC1(F)CCNC1 NO16398 [0,1,0,1,0,0|1,0,0]=3 600 B7R2.16 C1CC12CNC2 DY529809 [0,0,0,2,0,0|2,0,0]=4 601 B7R2.5 BrC12CC(C1)C2 DY516363 [0,0,0,2,0,0|1,0,0]=3 602 B7R2.5 NC12CC(C1)C2 DY542163 [0,0,0,2,0,0|0,0,0]=2