0 B5R0.1 C=C(C)CCBr NO14513 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.1 CC(C)=CCBr DY41900 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.1 CC(C)=CCCl DY460578 [0,0,0,0,0,0|1,0,3]=4 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|0,0,0]=0 5 B5R0.1 CC(C)CCBr DY460632 [0,0,0,0,0,0|1,0,1]=2 6 B5R0.1 CC(N)CCO NO22096 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.1 CC(O)CON NO17735 [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CCCC(C)=O NO21731 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.1 CCCC(C)O DY741013 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CN(C)CC=O DY558327 [0,0,0,0,0,0|1,0,0]=1 11 B5R0.1 CN(C)CC=O NO17734 [0,0,0,0,0,0|1,0,0]=1 12 B5R0.1 CN(C)CCBr NO10949 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.1 CN(C)CCCl NO14471 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CN(C)CCN NO18603 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.1 CN(C)CCO NO11733 [0,0,0,0,0,0|1,0,2]=3 16 B5R0.1 COCC(C)O NO20741 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 COC[C@@H](C)O NO20249 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 COC[C@H](C)N DY623421 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 COC[C@H](C)O NO20309 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 C[C@@H](N)CCO NO14355 [0,0,0,0,0,0|1,0,2]=3 21 B5R0.1 C[C@H](N)CCO DY625189 [0,0,0,0,0,0|1,0,2]=3 22 B5R0.1 C[C@H](N)CCO NO14356 [0,0,0,0,0,0|1,0,2]=3 23 B5R0.1 C[C@H](O)CC#N DY625225 [0,0,0,0,0,0|2,0,1]=3 24 B5R0.1 C\C=C\[C@H](C)O DY791877 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 FCCC(F)F DY793407 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 PCCC(Cl)Cl DY527415 [0,0,0,0,0,0|3,0,1]=4 27 B4R0.1 CC(=O)CBr DY20986 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 CC(=O)CN NO10921 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 CC(=O)CO NO11467 [1,0,0,0,0,0|1,0,2]=4 30 B4R0.1 CC(C)=NO NO10884 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC(C)CO DY740701 [1,0,0,0,0,0|0,0,1]=2 32 B4R0.1 CC(C)NN NO11525 [1,0,0,0,0,0|2,0,0]=3 33 B4R0.1 CC(C)ON NO13668 [1,0,0,0,0,0|2,0,0]=3 34 B4R0.1 CC(Cl)CCl DY822285 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 CC(N)C#N DY568905 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 CC(N)C#N DY741121 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 CC(N)CO NO21310 [1,0,0,0,0,0|1,0,1]=3 38 B4R0.1 CC(O)CCl DY586846 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 CCC(C)I DY740911 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 C[C@@H](Cl)CO NO20251 [1,0,0,0,0,0|1,0,1]=3 41 B4R0.1 C[C@@H](N)CN DY10147 [1,0,0,0,0,0|2,0,0]=3 42 B4R0.1 C[C@@H](N)CO NO14182 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.1 C[C@@H](O)CCl DY20696 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 C[C@@H](O)CO DY20330 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.1 C[C@H](N)CN NO20323 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 C[C@H](N)CO DY624919 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.1 C[C@H](N)CO NO19476 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.1 C[C@H](O)C#N DY822232 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 C[C@H](O)CCl DY20697 [1,0,0,0,0,0|2,0,0]=3 50 B4R0.1 C[C@H](O)CN NO14075 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 C\C=C(/C)Br DY10255 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 OCC(F)F NO20974 [1,0,0,0,0,0|2,0,1]=4 53 B4R0.2 BrCCCBr DY459264 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 C#CCCI DY554547 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 C#CCCO DY580491 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|2,0,0]=3 57 B4R0.2 CCCCBr DY460620 [1,0,0,0,0,0|1,0,1]=3 58 B4R0.2 CCNCC NO11240 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.2 CNCC#N NO19888 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.2 CNCCBr DY584482 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 CNCCO NO20910 [1,0,0,0,0,0|1,0,2]=4 62 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|1,0,0]=2 63 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|1,0,2]=4 66 B4R0.2 CSCSC DY528795 [1,0,0,0,0,0|3,0,0]=4 67 B4R0.2 FCCCF DY822298 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.2 ICCCI DY564171 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 N#CCCBr NO22188 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 N#CCCN DY526113 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 NCCCBr NO22190 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 OCCCF DY822290 [1,0,0,0,0,0|1,0,2]=4 73 B4R0.2 SCCCS DY740347 [1,0,0,0,0,0|1,1,1]=4 74 B4R0.2 [Li]CCCC DY790335 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.1 CC(CN)CCN DY791871 [0,1,0,0,0,0|1,0,1]=3 76 B6R0.1 CCCC(C)CBr DY112368 [0,1,0,0,0,0|1,0,1]=3 77 B6R0.1 CCCC(O)CO NO20495 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.1 COC(=O)CC=O DY740485 [0,1,0,0,0,0|1,0,1]=3 79 B6R0.1 N#CCC(O)CCl DY504207 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 N#CC[C@H](O)CCl NO22599 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.1 NCCC(O)CO DY608108 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 OC(CBr)CCBr DY740743 [0,1,0,0,0,0|2,0,1]=4 83 B6R0.2 CC(=O)NC(C)C DY461094 [0,1,0,0,0,0|1,0,0]=2 84 B6R0.2 CC(C)=CC(=O)O NO14947 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.2 CC(C)=CC(N)=O DY795567 [0,1,0,0,0,0|0,0,2]=3 86 B6R0.2 CC(C)CB(O)O NO22276 [0,1,0,0,0,0|1,0,1]=3 87 B6R0.2 CC(C)CC(C)N DY822361 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.2 CC(O)CN(C)C DY741373 [0,1,0,0,0,0|1,0,2]=4 90 B6R0.2 CN(C)CC(=O)O NO13413 [0,1,0,0,0,0|1,0,0]=2 91 B6R0.2 CP(C)CP(C)C DY565029 [0,1,0,0,0,0|3,0,0]=4 92 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,1,0,0,0,0|1,0,0]=2 93 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,1,0,0,0,0|1,0,0]=2 95 B6R0.2 C[C@@H](O)CN(C)C DY585675 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,1,0,0,0,0|1,0,0]=2 98 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,1,0,0,0,0|1,0,0]=2 99 B6R0.3 C=CC(=O)N(C)C DY545499 [0,1,0,0,0,0|2,0,1]=4 100 B6R0.3 CC(=O)C(C)C=O DY459582 [0,1,0,0,0,0|1,0,1]=3 101 B6R0.3 CC(C)C(=O)CCl DY740659 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 CC(C)[C@@H](N)CO NO22659 [0,1,0,0,0,0|0,0,2]=3 103 B6R0.3 CC(C)[C@H](N)CO NO17224 [0,1,0,0,0,0|0,0,2]=3 104 B6R0.3 CC(C)\C(N)=N\O DY574395 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 COC(=O)C(C)C DY41931 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.4 C=COCC(C)C DY822723 [0,1,0,0,0,0|1,0,0]=2 107 B6R0.4 CC(C)=CC[Zn]Cl DY116080 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.4 CC(C)CCCBr DY740443 [0,1,0,0,0,0|1,0,1]=3 109 B6R0.4 CC(C)NCCN DY20461 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.4 CCCCC(C)O DY740779 [0,1,0,0,0,0|2,0,1]=4 111 B6R0.4 CCCC[SiH](C)C DY500283 [0,1,0,0,0,0|1,1,1]=4 112 B6R0.4 CCNCC(C)C DY564723 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.4 CN(C)CCCBr NO22184 [0,1,0,0,0,0|2,0,1]=4 114 B6R0.4 CN(C)CCCCl NO13505 [0,1,0,0,0,0|2,0,1]=4 115 B6R0.4 CN(C)CCCCl NO14943 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.4 CNCCC(C)C DY543681 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.4 CNCCC(C)C DY553713 [0,1,0,0,0,0|1,0,1]=3 118 B6R0.4 CNCCN(C)C NO11723 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.4 CNCCN(C)C NO15131 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.5 CC(C)(C)CC=O DY20142 [0,1,0,0,0,0|0,0,0]=1 121 B6R0.5 CC(C)(C)CCO NO21905 [0,1,0,0,0,0|0,0,2]=3 122 B6R0.5 CC(C)(O)CCBr NO15788 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.5 C[Si](C)(C)CCN DY789417 [0,1,0,0,0,0|1,1,1]=4 124 B6R0.5 C[Si](C)(C)CCO DY546735 [0,1,0,0,0,0|0,1,2]=4 125 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,1,0,0|2,0,1]=4 126 B6R1.2 CC1CCCN1 NO21699 [0,0,0,1,0,0|2,0,1]=4 127 B6R1.2 CC1CCCN1 NO21700 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 CC1CCCO1 DY20580 [0,0,0,1,0,0|2,0,1]=4 129 B6R1.2 CC1CCNC1 DY667237 [0,0,0,1,0,0|1,0,1]=3 130 B6R1.2 C[C@@H]1CCCN1 NO18299 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.2 C[C@H]1CCCN1 NO18800 [0,0,0,1,0,0|2,0,1]=4 132 B6R1.2 C[C@H]1CCCN1 NO19735 [0,0,0,1,0,0|2,0,1]=4 133 B6R1.2 FC1CCNC1 NO12894 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.2 NC1CC=CC1 NO19415 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.2 NC1CCNC1 DY572169 [0,0,0,1,0,0|2,0,1]=4 137 B6R1.2 NC1CCOC1 NO12010 [0,0,0,1,0,0|1,0,2]=4 138 B6R1.2 N[C@@H]1CCOC1 DY623409 [0,0,0,1,0,0|1,0,2]=4 139 B6R1.2 N[C@@H]1CCOC1 NO13003 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.2 N[C@H]1CCOC1 DY626689 [0,0,0,1,0,0|1,0,2]=4 142 B6R1.2 N[C@H]1CCOC1 NO20366 [0,0,0,1,0,0|1,0,2]=4 143 B6R1.2 OC1CC=CC1 DY10342 [0,0,0,1,0,0|2,0,0]=3 144 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,1,0,0|1,0,2]=4 147 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,0,0,1,0,0|2,0,1]=4 148 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,1,0,0|2,0,1]=4 149 B6R1.2 SC1CCOC1 DY789441 [0,0,0,1,0,0|1,0,2]=4 150 B6R1.3 ICCC1CC1 DY549405 [0,0,0,1,0,0|1,0,1]=3 151 B6R1.3 N#CCC1CC1 DY433947 [0,0,0,1,0,0|1,0,1]=3 152 B6R1.3 NNCC1CC1 DY509474 [0,0,0,1,0,0|2,0,0]=3 153 B6R1.3 NNCC1CC1 DY586553 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.3 OCCN1CC1 DY505047 [0,0,0,1,0,0|1,0,2]=4 155 B6R1.5 C=C1CC(=O)O1 DY732691 [0,0,0,1,0,0|1,0,2]=4 156 B6R1.5 CC1CC(N)C1 DY105778 [0,0,0,1,0,0|1,0,1]=3 157 B6R1.5 CC1CC(O)C1 DY539301 [0,0,0,1,0,0|0,0,2]=3 158 B6R1.5 CN1CC(=O)C1 DY533589 [0,0,0,1,0,0|1,0,0]=2 159 B6R1.5 CN1CC(N)C1 DY444125 [0,0,0,1,0,0|2,0,1]=4 160 B6R1.5 NC1CC(=O)C1 DY444232 [0,0,0,1,0,0|1,0,0]=2 161 B6R1.5 NC1CC(=O)C1 DY756175 [0,0,0,1,0,0|1,0,0]=2 162 B6R1.5 NC1CC(N)C1 DY103595 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [0,0,0,1,0,0|1,0,2]=4 164 B6R1.8 COC1CC1N DY503985 [0,0,0,1,0,0|3,0,0]=4 165 B6R1.8 N[C@@H]1C[C@H]1CO DY757435 [0,0,0,1,0,0|1,0,2]=4 166 B6R1.8 OCC1C[C@@H]1F DY102848 [0,0,0,1,0,0|1,0,2]=4 167 B6R1.10 CC1(N)COC1 DY444292 [0,0,0,1,0,0|3,0,0]=4 168 B6R1.10 CC1(N)COC1 NO14859 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.10 CC1(N)CSC1 DY113158 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.10 CC1(O)CNC1 NO15502 [0,0,0,1,0,0|3,0,0]=4 171 B6R1.11 CC(C)C1CO1 DY791517 [0,0,0,1,0,0|0,0,2]=3 172 B6R1.11 CC(N)C1CC1 DY528885 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.11 CC(O)C1CC1 DY757429 [0,0,0,1,0,0|2,0,1]=4 174 B6R1.11 C[C@H](N)C1CC1 DY623903 [0,0,0,1,0,0|2,0,1]=4 175 B3R0.1 C#CC=O DY743011 [2,0,0,0,0,0|0,0,2]=4 176 B3R0.1 C=CCBr DY41858 [2,0,0,0,0,0|1,0,1]=4 177 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|1,0,1]=4 178 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|1,0,1]=4 179 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|2,0,0]=4 180 B3R0.1 CNC=O DY513177 [2,0,0,0,0,0|1,0,0]=3 181 B3R0.1 CSCCl DY584302 [2,0,0,0,0,0|2,0,0]=4 182 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|2,0,0]=4 183 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|2,0,0]=4 184 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|2,0,0]=4 185 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|2,0,0]=4 186 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|2,0,0]=4 187 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|2,0,0]=4 188 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|1,1,0]=4 189 B3R0.1 O=CC=O DY562899 [2,0,0,0,0,0|1,0,1]=4 190 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|1,0,1]=4 191 B3R0.1 SCCS DY20652 [2,0,0,0,0,0|1,1,0]=4 192 B3R0.2 CC(=O)O DY562245 [2,0,0,0,0,0|1,0,1]=4 193 B3R0.2 CC(=O)[O-] DY564465 [2,0,0,0,0,0|1,0,1]=4 194 B3R0.2 CC(=O)[O-] DY822453 [2,0,0,0,0,0|1,0,1]=4 195 B3R0.2 CC(=O)[O-] DY822777 [2,0,0,0,0,0|1,0,1]=4 196 B3R0.2 CC(=O)[O-] DY822867 [2,0,0,0,0,0|1,0,1]=4 197 B3R0.2 CC(=O)[O-] DY822906 [2,0,0,0,0,0|1,0,1]=4 198 B3R0.2 CC(=O)[O-] DY822959 [2,0,0,0,0,0|1,0,1]=4 199 B3R0.2 CC(=O)[O-] DY822960 [2,0,0,0,0,0|1,0,1]=4 200 B3R0.2 CC(=O)[O-] NO11168 [2,0,0,0,0,0|1,0,1]=4 201 B3R0.2 CC(=O)[O-] NO11832 [2,0,0,0,0,0|1,0,1]=4 202 B3R0.2 CC(C)Br DY41864 [2,0,0,0,0,0|1,0,0]=3 203 B3R0.2 CC(C)I DY742309 [2,0,0,0,0,0|1,0,0]=3 204 B3R0.2 CC(C)[O-] DY822961 [2,0,0,0,0,0|0,0,1]=3 205 B3R0.2 CN(C)C DY460488 [2,0,0,0,0,0|1,0,0]=3 206 B3R0.2 CS(=O)[O-] DY434050 [2,0,0,0,0,0|2,0,0]=4 207 B3R0.2 CS(C)=O DY506586 [2,0,0,0,0,0|1,0,0]=3 208 B3R0.2 C[13C](=O)O DY454749 [2,0,0,0,0,0|1,0,1]=4 209 B3R0.2 C[PH](C)=O DY21075 [2,0,0,0,0,0|1,0,0]=3 210 B3R0.2 C[S+](C)C DY794205 [2,0,0,0,0,0|1,0,0]=3 211 B3R0.2 C[SiH](C)Cl DY822313 [2,0,0,0,0,0|1,1,0]=4 212 B5R0.3 C=CC(Cl)CCl DY740791 [1,1,0,0,0,0|1,0,1]=4 213 B5R0.3 C=CC(N)CO DY579231 [1,1,0,0,0,0|1,0,1]=4 214 B5R0.3 C=C[C@H](O)CO DY625759 [1,1,0,0,0,0|1,0,1]=4 215 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|1,0,1]=4 216 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|1,0,1]=4 217 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|1,0,1]=4 218 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|1,0,1]=4 219 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|1,0,1]=4 220 B5R0.3 CC[C@H](C)C#N DY822231 [1,1,0,0,0,0|0,0,2]=4 221 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|1,0,1]=4 222 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|1,0,1]=4 223 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|1,0,0]=3 224 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|1,0,0]=3 225 B5R0.3 CO[C@H](C)CO NO12306 [1,1,0,0,0,0|0,0,1]=3 226 B5R0.3 NC(CO)CO NO18352 [1,1,0,0,0,0|1,0,1]=4 227 B5R0.3 NCC(O)CN NO14232 [1,1,0,0,0,0|2,0,0]=4 228 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|1,0,1]=4 229 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|1,0,1]=4 230 B5R0.3 NC[C@H](O)CCl DY427329 [1,1,0,0,0,0|2,0,0]=4 231 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|1,0,1]=4 232 B5R0.3 O=CC(Br)C=O NO18151 [1,1,0,0,0,0|1,0,1]=4 233 B5R0.3 OC[C@@H](O)CCl NO15061 [1,1,0,0,0,0|1,0,1]=4 234 B5R0.3 OC[C@H](O)CCl DY20314 [1,1,0,0,0,0|1,0,1]=4 235 B5R0.4 C#CC(C)(C)Cl DY460572 [1,1,0,0,0,0|0,0,2]=4 236 B5R0.4 C=CC(C)(C)Br DY575625 [1,1,0,0,0,0|0,0,1]=3 237 B5R0.4 C=CC(C)(C)C DY822271 [1,1,0,0,0,0|0,0,1]=3 238 B5R0.4 C=C[Si](C)(C)C DY570321 [1,1,0,0,0,0|0,1,1]=4 239 B5R0.4 CC(C)(Br)CBr DY796695 [1,1,0,0,0,0|1,0,0]=3 240 B5R0.4 CC(C)(C)C#N DY10368 [1,1,0,0,0,0|1,0,1]=4 241 B5R0.4 CC(C)(C)CN NO11775 [1,1,0,0,0,0|1,0,0]=3 242 B5R0.4 CC(C)(C)N=O DY822750 [1,1,0,0,0,0|1,0,0]=3 243 B5R0.4 CC(C)(C)OO DY741391 [1,1,0,0,0,0|1,0,1]=4 244 B5R0.4 CC(C)(C)[Mg]Cl DY566799 [1,1,0,0,0,0|2,0,0]=4 245 B5R0.4 CC(C)(N)C#N DY536241 [1,1,0,0,0,0|1,0,1]=4 246 B5R0.4 CC(C)(N)C#N NO15395 [1,1,0,0,0,0|1,0,1]=4 247 B5R0.4 CC(C)(O)CN NO20593 [1,1,0,0,0,0|1,0,0]=3 248 B5R0.4 CCC(C)(C)[O-] DY822652 [1,1,0,0,0,0|0,0,1]=3 249 B5R0.4 CCC(C)(C)[O-] DY822653 [1,1,0,0,0,0|0,0,1]=3 250 B5R0.4 O=CC(Br)(Br)Br DY822347 [1,1,0,0,0,0|2,0,0]=4 251 B5R0.5 C=C(C)C(=O)O DY740707 [1,1,0,0,0,0|0,0,2]=4 252 B5R0.5 CC(=O)C(C)C DY740329 [1,1,0,0,0,0|0,0,0]=2 253 B5R0.5 CC(=O)C(C)Cl DY740749 [1,1,0,0,0,0|1,0,0]=3 254 B5R0.5 CC(C)B(O)O DY454222 [1,1,0,0,0,0|1,0,1]=4 255 B5R0.5 CC(C)C(N)=O NO21696 [1,1,0,0,0,0|0,0,0]=2 256 B5R0.5 CC(O)C(N)=O DY538347 [1,1,0,0,0,0|1,0,0]=3 257 B5R0.5 CN(C)C(=S)[S-] DY822456 [1,1,0,0,0,0|1,1,0]=4 258 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [1,1,0,0,0,0|1,0,0]=3 259 B5R0.5 C[C@@H](N)C(N)=O NO15732 [1,1,0,0,0,0|1,0,0]=3 260 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [1,1,0,0,0,0|1,0,0]=3 261 B5R0.5 C[C@H](Br)C(=O)O DY20444 [1,1,0,0,0,0|1,0,0]=3 262 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [1,1,0,0,0,0|1,0,0]=3 263 B5R0.5 C[C@H](N)C(=O)O NO19143 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.5 C[C@H](N)C(=O)S DY572427 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.5 C[C@H](N)C(N)=O NO22529 [1,1,0,0,0,0|1,0,0]=3 266 B5R0.5 C[C@H](O)C(N)=O DY624997 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.5 O=C(Cl)C(F)Cl DY794697 [1,1,0,0,0,0|2,0,0]=4 268 B5R0.5 O=C(O)C(Cl)Cl DY740833 [1,1,0,0,0,0|2,0,0]=4 269 B5R0.5 O=C([O-])C(Cl)Cl DY21032 [1,1,0,0,0,0|2,0,0]=4 270 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [1,1,0,0,0,0|1,0,0]=3 271 B5R0.2 C=CCCCBr DY460284 [1,1,0,0,0,0|1,0,0]=3 272 B5R0.2 C=CCC[Zn]Br DY121337 [1,1,0,0,0,0|2,0,0]=4 273 B5R0.2 CCCCCBr NO20657 [1,1,0,0,0,0|1,0,1]=4 274 B5R0.2 CCCC[Mg]Cl DY567561 [1,1,0,0,0,0|1,0,1]=4 275 B5R0.2 CCOCCBr NO21396 [1,1,0,0,0,0|1,0,1]=4 276 B5R0.2 CCO\C=C\Br DY456448 [1,1,0,0,0,0|1,0,1]=4 277 B5R0.2 CC\C=C\CO DY527871 [1,1,0,0,0,0|0,0,2]=4 278 B5R0.2 CNCCC#N NO22369 [1,1,0,0,0,0|1,0,1]=4 279 B5R0.2 CNCCCO NO14200 [1,1,0,0,0,0|0,0,2]=4 280 B5R0.2 CNCCNC NO15116 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.2 COCCC#N NO22345 [1,1,0,0,0,0|1,0,1]=4 282 B5R0.2 COCCCBr NO20649 [1,1,0,0,0,0|1,0,1]=4 283 B5R0.2 COCCCO NO20039 [1,1,0,0,0,0|0,0,2]=4 284 B5R0.2 COCCOC DY546591 [1,1,0,0,0,0|2,0,0]=4 285 B5R0.2 CSCCCO DY557199 [1,1,0,0,0,0|0,0,2]=4 286 B5R0.2 C\C=C\CCO DY799773 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.2 FCCCCF DY822299 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.2 N#CCCCN DY548775 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.2 NCCCCBr NO14979 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.2 NCCCCN NO19906 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.2 OCCCCF DY822291 [1,1,0,0,0,0|0,0,2]=4 292 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,2,0,0,0,0|2,0,0]=4 293 B7R0.2 CC(C)CC(=O)CN DY540483 [0,2,0,0,0,0|0,0,0]=2 294 B7R0.2 CC(C)C[C@@H](N)CO NO14853 [0,2,0,0,0,0|0,0,2]=4 295 B7R0.2 CC(C)C[C@H](N)CO NO19307 [0,2,0,0,0,0|0,0,2]=4 296 B7R0.2 CC(C)NC(=O)CN DY605375 [0,2,0,0,0,0|1,0,0]=3 297 B7R0.2 CC(C)OC(=O)CO NO11522 [0,2,0,0,0,0|1,0,0]=3 298 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.2 CNC(C)CC(=O)O DY606375 [0,2,0,0,0,0|0,0,0]=2 303 B7R0.2 COC(=O)CC(=O)O NO13436 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [0,2,0,0,0,0|1,0,1]=4 305 B7R0.2 COC(=O)CC(N)=O DY557829 [0,2,0,0,0,0|1,0,1]=4 306 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,2,0,0,0,0|1,0,0]=3 308 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,2,0,0,0,0|1,0,0]=3 309 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,2,0,0,0,0|1,0,0]=3 310 B7R0.2 C\C(C=O)=C/N(C)C NO22267 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [0,2,0,0,0,0|2,0,0]=4 312 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.3 CCCOC(C)CN DY605531 [0,2,0,0,0,0|1,0,1]=4 314 B7R0.3 COC(=O)CCC=O DY21172 [0,2,0,0,0,0|1,0,1]=4 315 B7R0.5 CC(C)N(C)CCN DY604213 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.5 CCCC(C)C(C)=O DY740965 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.7 CCOC(=O)CC=O DY586084 [0,2,0,0,0,0|1,0,1]=4 318 B7R0.10 CCC(C)[C@H](N)C#N DY620666 [0,2,0,0,0,0|1,0,1]=4 319 B7R0.10 CC[C@H](C)[C@H](N)CO NO18903 [0,2,0,0,0,0|0,0,2]=4 320 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [0,2,0,0,0,0|1,0,0]=3 321 B7R0.11 C=CC[Si](C)(C)CCl DY570345 [0,2,0,0,0,0|1,1,0]=4 322 B7R0.12 COCC(OC)OC DY822270 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.9 CC(=O)CC(C)(C)O DY740611 [0,2,0,0,0,0|0,0,0]=2 324 B7R0.9 CC(C)(C)CC(=O)Cl DY568221 [0,2,0,0,0,0|0,0,0]=2 325 B7R0.9 CC(C)(C)CC(=O)O NO22814 [0,2,0,0,0,0|0,0,0]=2 326 B7R0.9 CC(C)(C)OC(N)=O NO11993 [0,2,0,0,0,0|1,0,0]=3 327 B7R0.9 CC(C)(N)CC(=O)O NO14805 [0,2,0,0,0,0|0,0,0]=2 328 B7R0.9 CC(C)(N)CC(=O)O NO17039 [0,2,0,0,0,0|0,0,0]=2 329 B7R0.9 CC(C)(O)CC(=O)[O-] DY791319 [0,2,0,0,0,0|0,0,0]=2 330 B7R0.9 CN(C)CC(C)(C)O DY41894 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.9 C[N+](C)(C)CC(=O)O DY562113 [0,2,0,0,0,0|1,0,0]=3 332 B7R0.16 CC(=O)C(=O)C(C)Br DY822550 [0,2,0,0,0,0|1,0,1]=4 333 B7R0.16 CC(=O)C(C)C(C)=O DY572943 [0,2,0,0,0,0|1,0,1]=4 334 B7R0.16 CC(=O)C(Cl)C(C)=O DY461118 [0,2,0,0,0,0|1,0,1]=4 335 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,2,0,0,0,0|1,0,1]=4 336 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.16 CC(C)C(=O)C(=O)[O-] NO22357 [0,2,0,0,0,0|0,0,1]=3 338 B7R0.16 CC(C)C(N)C(C)C NO17730 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [0,2,0,0,0,0|0,0,0]=2 340 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,2,0,0,0,0|0,0,0]=2 341 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [0,2,0,0,0,0|1,0,1]=4 342 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [0,2,0,0,0,0|1,0,0]=3 343 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O DY438202 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.13 CC(C)C(C)(N)C#N NO21220 [0,2,0,0,0,0|1,0,1]=4 348 B7R0.4 CC(C)OCCCN DY546693 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,2,0,0,0,0|0,0,2]=4 350 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.6 CC(=O)NCC(=O)O NO19131 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.6 CC(=O)SCC(=O)O DY447723 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.6 CC(C)CCC(=N)N DY611066 [0,2,0,0,0,0|1,0,0]=3 354 B7R0.6 CN(C)CCC(=O)O NO12169 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.8 CC(C)(C)OCCO DY570549 [0,2,0,0,0,0|0,0,2]=4 356 B7R0.8 CC(C)(C)SCCN DY796767 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.8 C[Si](C)(C)C#CC=O DY546999 [0,2,0,0,0,0|0,1,1]=4 359 B7R0.8 O=COCC(F)(F)F DY548409 [0,2,0,0,0,0|2,0,0]=4 360 B5R1.2 BrC1COC1 DY425330 [1,0,0,1,0,0|1,0,1]=4 361 B5R1.2 CC1CNC1 NO13089 [1,0,0,1,0,0|1,0,0]=3 362 B5R1.2 C[C@H]1CCN1 DY625021 [1,0,0,1,0,0|1,0,1]=4 363 B5R1.2 ClC1CCC1 DY756391 [1,0,0,1,0,0|1,0,1]=4 364 B5R1.2 ClC1CNC1 DY586642 [1,0,0,1,0,0|2,0,0]=4 365 B5R1.2 FC1CNC1 NO22297 [1,0,0,1,0,0|2,0,0]=4 366 B5R1.2 IC1CNC1 DY444286 [1,0,0,1,0,0|2,0,0]=4 367 B5R1.2 IC1COC1 DY10503 [1,0,0,1,0,0|1,0,1]=4 368 B5R1.2 NC1COC1 NO22388 [1,0,0,1,0,0|1,0,1]=4 369 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|1,0,1]=4 370 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|2,0,0]=4 371 B5R1.2 OC1COC1 NO19329 [1,0,0,1,0,0|1,0,1]=4 372 B5R1.3 BrCC1CC1 DY10481 [1,0,0,1,0,0|1,0,0]=3 373 B5R1.3 BrCC1CO1 DY822350 [1,0,0,1,0,0|2,0,0]=4 374 B5R1.3 BrC[C@H]1CO1 DY822260 [1,0,0,1,0,0|2,0,0]=4 375 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|1,0,1]=4 376 B5R1.3 CNC1CC1 NO13160 [1,0,0,1,0,0|1,0,1]=4 377 B5R1.3 ClCC1CC1 NO19956 [1,0,0,1,0,0|1,0,0]=3 378 B5R1.3 ClC[C@@H]1CO1 DY20322 [1,0,0,1,0,0|2,0,0]=4 379 B5R1.3 ClC[C@H]1CO1 DY557877 [1,0,0,1,0,0|2,0,0]=4 380 B5R1.3 NCC1CC1 NO18907 [1,0,0,1,0,0|1,0,0]=3 381 B5R1.3 NNC1CC1 NO15677 [1,0,0,1,0,0|2,0,0]=4 382 B5R1.3 NNC1CC1 NO18095 [1,0,0,1,0,0|2,0,0]=4 383 B5R1.3 OCC1CC1 NO19620 [1,0,0,1,0,0|0,0,1]=3 384 B5R1.4 N[C@@H]1C[C@@H]1F DY620136 [1,0,0,1,0,0|2,0,0]=4 385 B5R1.4 N[C@@H]1C[C@H]1N DY586552 [1,0,0,1,0,0|2,0,0]=4 386 B5R1.4 N[C@H]1C[C@@H]1F DY758461 [1,0,0,1,0,0|2,0,0]=4 387 B5R1.4 N[C@H]1C[C@@H]1N DY586558 [1,0,0,1,0,0|2,0,0]=4 388 B5R1.4 N[C@H]1C[C@H]1N DY586550 [1,0,0,1,0,0|2,0,0]=4 389 B5R1.5 CC1(N)CC1 NO15074 [1,0,0,1,0,0|1,0,1]=4 390 B5R1.1 C1=CCNC1 DY10278 [1,0,0,1,0,0|2,0,0]=4 391 B5R1.1 C1=CCNC1 DY798015 [1,0,0,1,0,0|2,0,0]=4 392 B5R1.1 C1=NCCO1 DY793809 [1,0,0,1,0,0|1,0,1]=4 393 B5R1.1 C1CNNC1 NO16750 [1,0,0,1,0,0|2,0,0]=4 394 B7R1.1 BrCC1CCCC1 DY20145 [0,1,0,1,0,0|1,0,1]=4 395 B7R1.1 CCC1CCNC1 DY585732 [0,1,0,1,0,0|1,0,1]=4 396 B7R1.1 CNC1CCCC1 DY757231 [0,1,0,1,0,0|1,0,1]=4 397 B7R1.1 CNC1CCOC1 DY579885 [0,1,0,1,0,0|0,0,2]=4 398 B7R1.1 CN[C@@H]1CCOC1 DY104966 [0,1,0,1,0,0|0,0,2]=4 399 B7R1.1 COC1CCCC1 DY459258 [0,1,0,1,0,0|1,0,1]=4 400 B7R1.1 COC1CCNC1 NO22350 [0,1,0,1,0,0|1,0,1]=4 401 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,1,0,0|1,0,1]=4 402 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,1,0,0|1,0,1]=4 403 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,1,0,0|1,0,1]=4 404 B7R1.1 NCC1CCCC1 NO14873 [0,1,0,1,0,0|1,0,1]=4 405 B7R1.1 NC[C@H]1CCOC1 DY102307 [0,1,0,1,0,0|0,0,2]=4 406 B7R1.1 OCC1CC=CC1 NO20734 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.1 OCC1CCCC1 NO11185 [0,1,0,1,0,0|1,0,1]=4 408 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,1,0,0|1,0,1]=4 409 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,1,0,0|1,0,1]=4 410 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,1,0,0|1,0,1]=4 411 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,1,0,0|1,0,1]=4 412 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,1,0,1,0,0|0,0,2]=4 413 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,1,0,1,0,0|1,0,1]=4 414 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,1,0,1,0,0|1,0,1]=4 415 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,1,0,1,0,0|1,0,1]=4 416 B7R1.2 CC1CCC(=O)N1 DY505299 [0,1,0,1,0,0|1,0,0]=3 417 B7R1.2 CN1CCC(=O)C1 NO20760 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,1,0,0|0,0,2]=4 420 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,1,0,1,0,0|1,0,0]=3 421 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,1,0,1,0,0|1,0,0]=3 422 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,1,0,1,0,0|1,0,0]=3 423 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,1,0,1,0,0|1,0,0]=3 424 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,1,0,1,0,0|1,0,0]=3 425 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [0,1,0,1,0,0|1,0,1]=4 426 B7R1.2 O=C1CC(O)CN1 NO14706 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,1,0,1,0,0|1,0,0]=3 429 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,1,0,1,0,0|1,0,0]=3 430 B7R1.3 CC1C=CCCO1 DY560079 [0,1,0,1,0,0|1,0,1]=4 431 B7R1.3 CC1CCCCN1 DY20418 [0,1,0,1,0,0|1,0,1]=4 432 B7R1.3 CC1CNCCN1 NO13503 [0,1,0,1,0,0|1,0,1]=4 433 B7R1.3 CC1CNCCO1 NO21692 [0,1,0,1,0,0|1,0,1]=4 434 B7R1.3 CC1COCCN1 NO22371 [0,1,0,1,0,0|0,0,2]=4 435 B7R1.3 CN1CC=CCC1 NO20742 [0,1,0,1,0,0|2,0,0]=4 436 B7R1.3 C[C@@H]1CCCNC1 NO16133 [0,1,0,1,0,0|1,0,1]=4 437 B7R1.3 C[C@@H]1CNCCN1 DY622137 [0,1,0,1,0,0|1,0,1]=4 438 B7R1.3 C[C@@H]1CNCCN1 NO17164 [0,1,0,1,0,0|1,0,1]=4 439 B7R1.3 C[C@@H]1CNCCO1 NO14521 [0,1,0,1,0,0|1,0,1]=4 440 B7R1.3 C[C@@H]1COCCN1 NO14856 [0,1,0,1,0,0|0,0,2]=4 441 B7R1.3 C[C@@H]1COCCN1 NO20285 [0,1,0,1,0,0|0,0,2]=4 442 B7R1.3 C[C@H]1CNCCN1 NO17167 [0,1,0,1,0,0|1,0,1]=4 443 B7R1.3 C[C@H]1CNCCO1 NO14515 [0,1,0,1,0,0|1,0,1]=4 444 B7R1.3 C[C@H]1CNCCO1 NO19299 [0,1,0,1,0,0|1,0,1]=4 445 B7R1.3 C[C@H]1COCCN1 DY20820 [0,1,0,1,0,0|0,0,2]=4 446 B7R1.3 C[C@H]1COCCN1 NO22413 [0,1,0,1,0,0|0,0,2]=4 447 B7R1.4 CC1CCCC1O DY757267 [0,1,0,1,0,0|1,0,1]=4 448 B7R1.5 CC1CC1N=C=O DY121381 [0,1,0,1,0,0|0,0,1]=3 449 B7R1.5 C[C@@H]1C[C@@H]1CCO DY544215 [0,1,0,1,0,0|0,0,2]=4 450 B7R1.6 C=CCC1CNC1 DY586612 [0,1,0,1,0,0|1,0,0]=3 451 B7R1.6 OCCC1CCO1 DY551169 [0,1,0,1,0,0|0,0,2]=4 452 B7R1.9 C#C[C@@H]1C[C@H]1CO DY586040 [0,1,0,1,0,0|1,0,1]=4 453 B7R1.9 N#CC1CC1CO DY757663 [0,1,0,1,0,0|1,0,1]=4 454 B7R1.9 NCC1CC1CO DY528789 [0,1,0,1,0,0|0,0,2]=4 455 B7R1.9 OC[C@H]1C[C@H]1CO DY543213 [0,1,0,1,0,0|0,0,2]=4 456 B7R1.10 C=C1CC(C#N)C1 NO13385 [0,1,0,1,0,0|1,0,1]=4 457 B7R1.10 CN1CC(CBr)C1 DY106288 [0,1,0,1,0,0|2,0,0]=4 458 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,1,0,0|0,0,2]=4 459 B7R1.10 COC1CC(=O)N1 DY548379 [0,1,0,1,0,0|1,0,0]=3 460 B7R1.10 CSC1CC(O)C1 DY536265 [0,1,0,1,0,0|0,0,2]=4 461 B7R1.10 NCC1CC(=O)C1 DY522525 [0,1,0,1,0,0|0,0,0]=2 462 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,1,0,1,0,0|0,0,2]=4 463 B7R1.21 NCCC1(O)CC1 DY576975 [0,1,0,1,0,0|1,0,1]=4 464 B7R1.21 OCCC1(F)CC1 DY585233 [0,1,0,1,0,0|0,0,2]=4 465 B7R1.22 C#C[C@@H](O)C1CC1 DY586257 [0,1,0,1,0,0|1,0,1]=4 466 B7R1.22 CC[C@H](N)C1CC1 DY585988 [0,1,0,1,0,0|1,0,1]=4 467 B7R1.22 NCC(O)C1CC1 DY608201 [0,1,0,1,0,0|1,0,1]=4 468 B7R1.22 NC[C@H](O)C1CC1 DY586263 [0,1,0,1,0,0|1,0,1]=4 469 B7R1.22 N[C@@H](CO)C1CC1 DY515775 [0,1,0,1,0,0|0,0,2]=4 470 B7R1.25 CC1(CBr)COC1 NO22179 [0,1,0,1,0,0|2,0,0]=4 471 B7R1.25 CC1(CCl)COC1 DY573177 [0,1,0,1,0,0|2,0,0]=4 472 B7R1.25 CC1(CN)CNC1 DY586631 [0,1,0,1,0,0|2,0,0]=4 473 B7R1.25 CC1(CN)COC1 NO22390 [0,1,0,1,0,0|2,0,0]=4 474 B7R1.25 CC1(CO)COC1 NO16968 [0,1,0,1,0,0|2,0,0]=4 475 B7R1.25 CC1(CS)COC1 DY115780 [0,1,0,1,0,0|2,0,0]=4 476 B7R1.12 C[C@H]1C[C@H]1B(O)O DY705817 [0,1,0,1,0,0|1,0,1]=4 477 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,1,0,1,0,0|1,0,0]=3 478 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,1,0,1,0,0|1,0,0]=3 479 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,1,0,1,0,0|1,0,0]=3 480 B7R1.16 C[C@]1(N)C[C@@H](O)C1 DY103487 [0,1,0,1,0,0|0,0,2]=4 481 B7R1.16 NC1CS(=O)(=O)C1 DY577347 [0,1,0,1,0,0|2,0,0]=4 482 B7R1.16 O=C1CS(=O)(=O)C1 DY528333 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.20 N=C(N)NC1CC1 DY608746 [0,1,0,1,0,0|2,0,0]=4 484 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [0,1,0,1,0,0|1,0,0]=3 485 B7R1.19 CC(C)C1(Cl)N=N1 DY770193 [0,1,0,1,0,0|2,0,0]=4 486 B7R1.23 CC1(C)CC1CN DY611072 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.23 CC1(C)C[C@@H]1CN DY623445 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.23 O=CC1CC1(F)F DY429258 [0,1,0,1,0,0|1,0,0]=3 489 B7R1.7 CCNCC1CC1 DY606135 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.7 CNCCC1CC1 DY758521 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.7 N#CCCC1CC1 DY558495 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.7 S=C=NCC1CC1 DY796827 [0,1,0,1,0,0|0,1,1]=4 493 B7R1.14 CC1(Br)CCCC1 DY585925 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.14 CC1(C)COCN1 DY557637 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.14 CC1(C)NCCS1 NO22651 [0,1,0,1,0,0|0,1,1]=4 496 B7R1.14 CC1(C)OCCO1 DY822372 [0,1,0,1,0,0|0,0,2]=4 497 B7R1.14 CC1(N)CCCC1 DY502389 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.14 CC1(O)CCCC1 NO20768 [0,1,0,1,0,0|1,0,1]=4 499 B7R2.16 C1CC12CNC2 DY529809 [0,0,0,2,0,0|2,0,0]=4 500 B7R2.5 BrC12CC(C1)C2 DY516363 [0,0,0,2,0,0|1,0,1]=4 501 B7R2.5 NC12CC(C1)C2 DY542163 [0,0,0,2,0,0|1,0,1]=4