0 B5R0.1 C=C(C)CCBr NO14513 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CC#CC(=O)O DY20776 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.1 CC(=O)O[Ru]Cl DY577947 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 CC(=O)\C=N\O NO11520 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 CC(=O)\C=N\O NO18968 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(C)=CCBr DY41900 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 CC(C)=CCCl DY460578 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 CC(C)CCBr DY460632 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 CC(N)CCO NO22096 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 CC(O)CON NO17735 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 CCCB(O)O NO14802 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 CCCC(=O)[O-] DY822775 [0,0,0,0,0,0|1,0,1]=2 12 B5R0.1 CCCC(C)=O NO21731 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 CCCC(C)O DY741013 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.1 CCNC(C)=O DY564051 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 CCOC(C)=N DY500026 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 CCSC(=N)N DY505011 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 CN(C)CCBr NO10949 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 CN(C)CCCl NO14471 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 CN(C)CCN NO18603 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 CN(C)CCO NO11733 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 CNCC(=O)O NO18595 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 COCC(=N)N DY535605 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 COCC(=O)O NO11579 [0,0,0,0,0,0|2,0,0]=2 24 B5R0.1 COCC(C)O NO20741 [0,0,0,0,0,0|3,0,1]=4 25 B5R0.1 COC[C@@H](C)O NO20249 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 COC[C@H](C)O NO20309 [0,0,0,0,0,0|3,0,1]=4 27 B5R0.1 CSCC(=N)N DY504363 [0,0,0,0,0,0|4,0,0]=4 28 B5R0.1 CSCC(=O)O DY543879 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 CSCC(N)=O NO12608 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 C[C@@H](N)CCO NO14355 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 C[C@H](N)CCO DY625189 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 C[C@H](N)CCO NO14356 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 C[C@H](O)CC#N DY625225 [0,0,0,0,0,0|1,0,3]=4 34 B5R0.1 C\C=C\C(=O)O DY41882 [0,0,0,0,0,0|1,0,2]=3 35 B5R0.1 FCCC(F)F DY793407 [0,0,0,0,0,0|3,0,1]=4 36 B5R0.1 N#CCC(=O)Cl DY740377 [0,0,0,0,0,0|1,0,2]=3 37 B5R0.1 N#CCC(N)=O NO18594 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 NCCC(=O)O NO13499 [0,0,0,0,0,0|0,0,0]=0 39 B5R0.1 N\C=C\C(N)=O DY741355 [0,0,0,0,0,0|1,0,2]=3 40 B5R0.1 O=C(O)OCCl DY523719 [0,0,0,0,0,0|2,0,0]=2 41 B5R0.1 PCCC(Cl)Cl DY527415 [0,0,0,0,0,0|2,1,1]=4 42 B4R0.1 C=CC(N)=O DY822472 [1,0,0,0,0,0|1,0,2]=4 43 B4R0.1 CC(=O)CBr DY20986 [1,0,0,0,0,0|2,0,0]=3 44 B4R0.1 CC(=O)CN NO10921 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.1 CC(=O)CO NO11467 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.1 CC(=O)NN NO10881 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.1 CC(=O)NO NO14961 [1,0,0,0,0,0|3,0,0]=4 48 B4R0.1 CC(O)CCl DY586846 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.1 CCB(O)O NO13979 [1,0,0,0,0,0|1,0,1]=3 50 B4R0.1 CCC(C)I DY740911 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.1 CCC(N)=O NO11886 [1,0,0,0,0,0|1,0,0]=2 52 B4R0.1 CCP(Cl)Cl DY525741 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.1 CNC(N)=S NO11797 [1,0,0,0,0,0|2,1,0]=4 54 B4R0.1 COC(=N)N DY546861 [1,0,0,0,0,0|3,0,0]=4 55 B4R0.1 COC(N)=O NO11667 [1,0,0,0,0,0|2,0,0]=3 56 B4R0.1 C[C@@H](N)CN DY10147 [1,0,0,0,0,0|2,0,1]=4 57 B4R0.1 C[C@@H](O)CCl DY20696 [1,0,0,0,0,0|2,0,1]=4 58 B4R0.1 C[C@@H](O)CO DY20330 [1,0,0,0,0,0|2,0,1]=4 59 B4R0.1 C[C@H](N)CN NO20323 [1,0,0,0,0,0|2,0,1]=4 60 B4R0.1 C[C@H](O)CCl DY20697 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.1 C[C@H](O)CN NO14075 [1,0,0,0,0,0|1,0,1]=3 62 B4R0.1 C\C=C(/C)Br DY10255 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.1 NC(=O)CBr NO21389 [1,0,0,0,0,0|2,0,0]=3 64 B4R0.1 NC(=O)CS DY570543 [1,0,0,0,0,0|2,0,0]=3 65 B4R0.1 NCC(=O)O NO19951 [1,0,0,0,0,0|0,0,0]=1 66 B4R0.1 NCC(=O)[O-] DY20522 [1,0,0,0,0,0|0,0,1]=2 67 B4R0.1 NCC(=O)[O-] DY795873 [1,0,0,0,0,0|0,0,1]=2 68 B4R0.1 NCC(=O)[O-] NO10910 [1,0,0,0,0,0|0,0,1]=2 69 B4R0.1 NCC(N)=O NO13806 [1,0,0,0,0,0|1,0,0]=2 70 B4R0.1 NNC(N)=O NO11949 [1,0,0,0,0,0|2,0,0]=3 71 B4R0.1 NNC(N)=S DY516675 [1,0,0,0,0,0|2,1,0]=4 72 B4R0.1 O=C(Br)CBr DY796737 [1,0,0,0,0,0|2,0,0]=3 73 B4R0.1 O=C(Cl)CBr DY21000 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.1 O=C(O)CO NO19334 [1,0,0,0,0,0|1,0,0]=2 75 B4R0.1 O=C([O-])CS DY822459 [1,0,0,0,0,0|1,0,1]=3 76 B4R0.1 O=S([O-])CO NO11936 [1,0,0,0,0,0|2,0,1]=4 77 B4R0.2 BrCCCBr DY459264 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 C#CCCI DY554547 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 C#CCCO DY580491 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 CCCCBr DY460620 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 CNCCBr DY584482 [1,0,0,0,0,0|3,0,0]=4 83 B4R0.2 CNCCO NO20910 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|2,0,0]=3 85 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|3,0,0]=4 86 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|2,0,0]=3 87 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 FCCCF DY822298 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 ICCCI DY564171 [1,0,0,0,0,0|2,0,1]=4 90 B4R0.2 N#CCCBr NO22188 [1,0,0,0,0,0|2,0,1]=4 91 B4R0.2 N#CCCN DY526113 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.2 NCCCBr NO22190 [1,0,0,0,0,0|1,0,1]=3 93 B4R0.2 OCCCF DY822290 [1,0,0,0,0,0|1,0,1]=3 94 B4R0.2 SCCCS DY740347 [1,0,0,0,0,0|1,1,1]=4 95 B4R0.2 [Li]CCCC DY790335 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.1 C=CC(=O)NCO DY580281 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.1 C=CC(O)CCN DY787899 [0,1,0,0,0,0|1,0,1]=3 98 B6R0.1 CC(CN)CCN DY791871 [0,1,0,0,0,0|2,0,1]=4 99 B6R0.1 CCCC(=O)NN NO22544 [0,1,0,0,0,0|2,0,0]=3 100 B6R0.1 CCCC(O)CO NO20495 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.1 CCNC(=O)CN DY461322 [0,1,0,0,0,0|3,0,0]=4 102 B6R0.1 CCOC(=O)CC DY460554 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.1 CCOC(=O)CN DY700831 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.1 CCOC(=O)CN NO15347 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.1 CCOC(=O)CO NO11386 [0,1,0,0,0,0|2,0,0]=3 106 B6R0.1 CCOC(=O)NN NO11383 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.1 CNC(=O)CC#N NO18404 [0,1,0,0,0,0|1,0,2]=4 108 B6R0.1 COC(=N)CCCl DY799605 [0,1,0,0,0,0|2,0,0]=3 109 B6R0.1 COC(=O)CC=O DY740485 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.1 COC(=O)CCCl DY741043 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.1 COC(=O)CCN NO22266 [0,1,0,0,0,0|0,0,0]=1 112 B6R0.1 COC(=O)CSC DY460536 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.1 COCC(=O)NN NO11580 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.1 NCCC(O)CO DY608108 [0,1,0,0,0,0|0,0,2]=3 115 B6R0.1 N\C(CCO)=N/O DY607623 [0,1,0,0,0,0|2,0,0]=3 116 B6R0.1 O=C(CCl)NCO NO14580 [0,1,0,0,0,0|3,0,0]=4 117 B6R0.1 OC(CBr)CCBr DY740743 [0,1,0,0,0,0|2,0,1]=4 118 B6R0.2 CC(=O)NC(C)C DY461094 [0,1,0,0,0,0|3,0,0]=4 119 B6R0.2 CC(C)=CC(=O)O NO14947 [0,1,0,0,0,0|1,0,2]=4 120 B6R0.2 CC(C)CB(O)O NO22276 [0,1,0,0,0,0|2,0,1]=4 121 B6R0.2 CC(C)CC(C)N DY822361 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.2 CC(O)CC(=O)[O-] DY460020 [0,1,0,0,0,0|1,0,1]=3 123 B6R0.2 CN(C)CC(=O)O NO13413 [0,1,0,0,0,0|2,0,0]=3 124 B6R0.2 C[C@@H](N)CC(=O)O NO19028 [0,1,0,0,0,0|0,0,0]=1 125 B6R0.2 C[C@@H](N)CN(C)C DY550137 [0,1,0,0,0,0|3,0,0]=4 126 B6R0.2 C[C@@H](O)CC(=O)[O-] NO20253 [0,1,0,0,0,0|1,0,1]=3 127 B6R0.2 C[C@H](N)CC(=O)O NO20346 [0,1,0,0,0,0|0,0,0]=1 128 B6R0.2 C[C@H](O)CC(=O)O DY426021 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.2 C[C@H](O)CC(=O)[O-] DY791133 [0,1,0,0,0,0|1,0,1]=3 130 B6R0.2 NC(=O)NC(N)=O NO11485 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.3 C=C(C#N)C(=O)O DY741055 [0,1,0,0,0,0|0,0,3]=4 132 B6R0.3 C=CC(C)C(=O)O DY559155 [0,1,0,0,0,0|1,0,1]=3 133 B6R0.3 C=CC(O)C(=O)O DY586439 [0,1,0,0,0,0|1,0,1]=3 134 B6R0.3 C=C[C@H](N)C(=O)O DY21080 [0,1,0,0,0,0|1,0,1]=3 135 B6R0.3 CC(=O)C(C)C=O DY459582 [0,1,0,0,0,0|2,0,1]=4 136 B6R0.3 CCC(=O)C(=O)O NO21626 [0,1,0,0,0,0|1,0,1]=3 137 B6R0.3 CCC(N)C(=O)O NO14084 [0,1,0,0,0,0|1,0,0]=2 138 B6R0.3 CCC(O)C(=O)O DY562593 [0,1,0,0,0,0|1,0,0]=2 139 B6R0.3 CCC(O)C(=O)[O-] DY557445 [0,1,0,0,0,0|1,0,1]=3 140 B6R0.3 CC[C@@H](N)C(=O)O NO14054 [0,1,0,0,0,0|1,0,0]=2 141 B6R0.3 CC[C@@H](N)C(N)=O DY503559 [0,1,0,0,0,0|2,0,0]=3 142 B6R0.3 CC[C@H](Br)C(=O)O DY624931 [0,1,0,0,0,0|1,0,0]=2 143 B6R0.3 CC[C@H](N)C(=O)O NO13661 [0,1,0,0,0,0|1,0,0]=2 144 B6R0.3 CC[C@H](N)C(N)=O DY436006 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.3 CC[C@H](N)C(N)=O NO15891 [0,1,0,0,0,0|2,0,0]=3 146 B6R0.3 CN[C@@H](C)C(=O)O DY628947 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.3 CN[C@@H](C)C(N)=O DY608441 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.3 COC(C)C(=O)O NO14024 [0,1,0,0,0,0|2,0,0]=3 149 B6R0.3 C[C@@H](CO)C(=O)O DY538785 [0,1,0,0,0,0|1,0,0]=2 150 B6R0.3 NC(=O)C(N)CO DY544785 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.3 NC(=O)[C@@H](N)CO DY438160 [0,1,0,0,0,0|2,0,0]=3 152 B6R0.3 NC(=O)[C@H](N)CO DY504027 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.3 NC(CO)C(=O)O NO18949 [0,1,0,0,0,0|1,0,0]=2 154 B6R0.3 NC(CS)C(=O)O NO19655 [0,1,0,0,0,0|1,0,0]=2 155 B6R0.3 NCC(N)C(=O)O DY702709 [0,1,0,0,0,0|0,0,0]=1 156 B6R0.3 NCC(N)C(=O)O DY703093 [0,1,0,0,0,0|0,0,0]=1 157 B6R0.3 NCC(N)C(=O)O NO19624 [0,1,0,0,0,0|0,0,0]=1 158 B6R0.3 NC[C@@H](N)C(=O)O NO19672 [0,1,0,0,0,0|0,0,0]=1 159 B6R0.3 NC[C@@H](O)C(=O)O NO20294 [0,1,0,0,0,0|0,0,0]=1 160 B6R0.3 NC[C@H](N)C(=O)O NO14756 [0,1,0,0,0,0|0,0,0]=1 161 B6R0.3 N[C@@H](CCl)C(=O)O DY436850 [0,1,0,0,0,0|1,0,0]=2 162 B6R0.3 N[C@@H](CO)C(=O)O NO19144 [0,1,0,0,0,0|1,0,0]=2 163 B6R0.3 N[C@@H](CS)C(=O)O DY436887 [0,1,0,0,0,0|1,0,0]=2 164 B6R0.3 N[C@@H](CS)C(=O)O DY529455 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.3 N[C@@H](CS)C(=O)O NO19113 [0,1,0,0,0,0|1,0,0]=2 166 B6R0.3 N[C@@H](CS)S(=O)O DY538851 [0,1,0,0,0,0|2,0,0]=3 167 B6R0.3 N[C@H](CO)C(=O)O NO14731 [0,1,0,0,0,0|1,0,0]=2 168 B6R0.3 N[C@H](CS)C(=O)O DY439001 [0,1,0,0,0,0|1,0,0]=2 169 B6R0.3 N[C@H](CS)C(=O)O NO19417 [0,1,0,0,0,0|1,0,0]=2 170 B6R0.3 O=C(O)C(Br)CBr NO15215 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.3 O=C(O)C(Br)CF DY741307 [0,1,0,0,0,0|1,0,0]=2 172 B6R0.3 O=C(O)C(O)CCl DY10790 [0,1,0,0,0,0|1,0,0]=2 173 B6R0.3 O=C(O)[C@H](O)CS DY740539 [0,1,0,0,0,0|1,0,0]=2 174 B6R0.4 C#CCCC(=O)O DY428029 [0,1,0,0,0,0|1,0,0]=2 175 B6R0.4 C=CCCC(=O)O NO15216 [0,1,0,0,0,0|1,0,0]=2 176 B6R0.4 C=C\C=C\C(=O)O NO12033 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.4 CC(=O)CCCBr NO10305 [0,1,0,0,0,0|2,0,0]=3 178 B6R0.4 CC(=O)CCCCl NO10334 [0,1,0,0,0,0|2,0,0]=3 179 B6R0.4 CC(=O)NCCCl DY33011 [0,1,0,0,0,0|2,0,0]=3 180 B6R0.4 CC(C)NCCN DY20461 [0,1,0,0,0,0|2,0,1]=4 181 B6R0.4 CCCCC(C)O DY740779 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.4 CC\C=C\C(C)=O DY822743 [0,1,0,0,0,0|2,0,1]=4 183 B6R0.4 CNCCC(C)C DY543681 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.4 CNCCC(C)C DY553713 [0,1,0,0,0,0|2,0,1]=4 185 B6R0.4 CNCCN(C)C NO11723 [0,1,0,0,0,0|3,0,0]=4 186 B6R0.4 CNCCN(C)C NO15131 [0,1,0,0,0,0|3,0,0]=4 187 B6R0.4 COCCC(=N)N DY569565 [0,1,0,0,0,0|3,0,0]=4 188 B6R0.4 CSCCC(C)=O DY740809 [0,1,0,0,0,0|2,0,0]=3 189 B6R0.4 N#CCCC(=O)O NO22262 [0,1,0,0,0,0|0,0,1]=2 190 B6R0.4 NCCCC(=O)O NO14998 [0,1,0,0,0,0|0,0,0]=1 191 B6R0.4 NCCNC(=O)O DY822495 [0,1,0,0,0,0|0,0,0]=1 192 B6R0.4 NC\C=C\C(=O)O DY552195 [0,1,0,0,0,0|0,0,1]=2 193 B6R0.4 O=C(O)CCCBr NO14053 [0,1,0,0,0,0|1,0,0]=2 194 B6R0.5 CC(C)(O)CCBr NO15788 [0,1,0,0,0,0|2,0,1]=4 195 B6R0.5 CCCS(=O)(=O)Cl DY20992 [0,1,0,0,0,0|2,0,1]=4 196 B6R0.5 CCCS(=O)(=O)[O-] DY32074 [0,1,0,0,0,0|2,0,1]=4 197 B6R0.5 C[Si](C)(C)CCN DY789417 [0,1,0,0,0,0|2,1,0]=4 198 B6R0.5 NCCC(F)(F)F NO14596 [0,1,0,0,0,0|2,0,1]=4 199 B6R0.5 NCCS(N)(=O)=O DY798819 [0,1,0,0,0,0|1,0,1]=3 200 B6R0.5 O=S(=O)(Cl)CCCl DY822174 [0,1,0,0,0,0|2,0,1]=4 201 B6R0.5 O=S(=O)(O)CCO DY504969 [0,1,0,0,0,0|2,0,0]=3 202 B6R1.2 BrC1CCNC1 NO15742 [0,0,0,1,0,0|2,0,1]=4 203 B6R1.2 C=C1CCSC1 DY523665 [0,0,0,1,0,0|3,0,0]=4 204 B6R1.2 CC1=NCCC1 NO21664 [0,0,0,1,0,0|3,0,0]=4 205 B6R1.2 CC1CCCO1 DY20580 [0,0,0,1,0,0|2,0,1]=4 206 B6R1.2 CC1CCNC1 DY667237 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.2 FC1CCNC1 NO12894 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.2 F[C@H]1CCNC1 NO14870 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.2 N=C1CCCS1 DY556065 [0,0,0,1,0,0|2,1,0]=4 210 B6R1.2 NC1=NCCC1 NO19310 [0,0,0,1,0,0|3,0,0]=4 211 B6R1.2 NC1CCNC1 DY572169 [0,0,0,1,0,0|2,0,1]=4 212 B6R1.2 N[C@H]1CCNC1 DY508670 [0,0,0,1,0,0|2,0,1]=4 213 B6R1.2 O=C1CC=NN1 NO20496 [0,0,0,1,0,0|1,0,2]=4 214 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,1,0,0|2,0,0]=3 215 B6R1.2 O=C1CCNC1 NO22412 [0,0,0,1,0,0|1,0,0]=2 216 B6R1.2 O=C1CCOC1 NO18178 [0,0,0,1,0,0|2,0,0]=3 217 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,1,0,0|2,0,0]=3 218 B6R1.2 O=C1N=CCO1 DY565077 [0,0,0,1,0,0|2,0,1]=4 219 B6R1.2 O=C1NCCN1 NO21607 [0,0,0,1,0,0|3,0,0]=4 220 B6R1.2 O[C@@H]1CCNC1 NO16635 [0,0,0,1,0,0|1,0,1]=3 221 B6R1.2 O[C@@H]1CCNC1 NO16650 [0,0,0,1,0,0|1,0,1]=3 222 B6R1.2 O[C@@H]1CCOC1 NO20284 [0,0,0,1,0,0|2,0,1]=4 223 B6R1.2 O[C@@H]1CNOC1 DY549543 [0,0,0,1,0,0|2,0,1]=4 224 B6R1.2 O[C@H]1CCNC1 NO21757 [0,0,0,1,0,0|1,0,1]=3 225 B6R1.2 S=C1NCCO1 DY561801 [0,0,0,1,0,0|2,1,0]=4 226 B6R1.5 C=C1CC(=O)O1 DY732691 [0,0,0,1,0,0|1,0,1]=3 227 B6R1.5 CC1CC(N)C1 DY105778 [0,0,0,1,0,0|2,0,1]=4 228 B6R1.5 CC1CC(O)C1 DY539301 [0,0,0,1,0,0|2,0,1]=4 229 B6R1.5 CN1CC(=O)C1 DY533589 [0,0,0,1,0,0|3,0,0]=4 230 B6R1.5 CN1CC(N)C1 DY444125 [0,0,0,1,0,0|3,0,0]=4 231 B6R1.5 NC1CC(=O)C1 DY444232 [0,0,0,1,0,0|1,0,0]=2 232 B6R1.5 NC1CC(=O)C1 DY756175 [0,0,0,1,0,0|1,0,0]=2 233 B6R1.5 NC1CC(N)C1 DY103595 [0,0,0,1,0,0|2,0,1]=4 234 B6R1.5 N[C@H]1C[C@@H](O)C1 DY105248 [0,0,0,1,0,0|1,0,1]=3 235 B6R1.11 CC(O)C1CC1 DY757429 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.11 N=C(N)C1CC1 DY559371 [0,0,0,1,0,0|3,0,0]=4 237 B6R1.11 N=C(N)C1CC1 NO16535 [0,0,0,1,0,0|3,0,0]=4 238 B6R1.11 NC(=O)C1CC1 NO16456 [0,0,0,1,0,0|2,0,0]=3 239 B6R1.11 NC(=S)C1CC1 DY21067 [0,0,0,1,0,0|2,1,0]=4 240 B6R1.11 O=C(O)C1CC1 NO13839 [0,0,0,1,0,0|1,0,0]=2 241 B6R1.11 O=C([O-])C1CO1 NO17514 [0,0,0,1,0,0|1,0,1]=3 242 B6R1.11 O=C([O-])[C@@H]1CO1 DY627493 [0,0,0,1,0,0|1,0,1]=3 243 B6R1.11 O=S(O)C1CC1 DY586549 [0,0,0,1,0,0|2,0,0]=3 244 B6R1.11 OB(O)C1CC1 DY20194 [0,0,0,1,0,0|2,0,1]=4 245 B3R0.1 C#CC=O DY743011 [2,0,0,0,0,0|0,0,2]=4 246 B3R0.1 C=CCBr DY41858 [2,0,0,0,0,0|1,0,1]=4 247 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|0,0,1]=3 248 B3R0.1 CCNC DY822410 [2,0,0,0,0,0|2,0,0]=4 249 B3R0.1 CCNN DY563997 [2,0,0,0,0,0|1,0,1]=4 250 B3R0.1 CNC=O DY513177 [2,0,0,0,0,0|1,0,0]=3 251 B3R0.1 NCCBr NO14044 [2,0,0,0,0,0|1,0,0]=3 252 B3R0.1 NCCCl NO16188 [2,0,0,0,0,0|1,0,0]=3 253 B3R0.1 NCCF NO21564 [2,0,0,0,0,0|1,0,0]=3 254 B3R0.1 NCCN DY521541 [2,0,0,0,0,0|1,0,0]=3 255 B3R0.1 NCCN DY561063 [2,0,0,0,0,0|1,0,0]=3 256 B3R0.1 NCCN DY567273 [2,0,0,0,0,0|1,0,0]=3 257 B3R0.1 NCCS DY460548 [2,0,0,0,0,0|0,1,0]=3 258 B3R0.1 O=CC=O DY562899 [2,0,0,0,0,0|1,0,1]=4 259 B3R0.1 OCCF DY822289 [2,0,0,0,0,0|1,0,0]=3 260 B3R0.1 SCCS DY20652 [2,0,0,0,0,0|1,1,0]=4 261 B3R0.2 CB(O)O DY508688 [2,0,0,0,0,0|1,0,1]=4 262 B3R0.2 CC(=O)O DY562245 [2,0,0,0,0,0|0,0,0]=2 263 B3R0.2 CC(=O)[O-] DY564465 [2,0,0,0,0,0|0,0,1]=3 264 B3R0.2 CC(=O)[O-] DY822453 [2,0,0,0,0,0|0,0,1]=3 265 B3R0.2 CC(=O)[O-] DY822777 [2,0,0,0,0,0|0,0,1]=3 266 B3R0.2 CC(=O)[O-] DY822867 [2,0,0,0,0,0|0,0,1]=3 267 B3R0.2 CC(=O)[O-] DY822906 [2,0,0,0,0,0|0,0,1]=3 268 B3R0.2 CC(=O)[O-] DY822959 [2,0,0,0,0,0|0,0,1]=3 269 B3R0.2 CC(=O)[O-] DY822960 [2,0,0,0,0,0|0,0,1]=3 270 B3R0.2 CC(=O)[O-] NO11168 [2,0,0,0,0,0|0,0,1]=3 271 B3R0.2 CC(=O)[O-] NO11832 [2,0,0,0,0,0|0,0,1]=3 272 B3R0.2 CS(=O)[O-] DY434050 [2,0,0,0,0,0|1,0,1]=4 273 B3R0.2 CS(C)=O DY506586 [2,0,0,0,0,0|2,0,0]=4 274 B3R0.2 C[13C](=O)O DY454749 [2,0,0,0,0,0|0,0,0]=2 275 B3R0.2 C[PH](C)=O DY21075 [2,0,0,0,0,0|2,0,0]=4 276 B3R0.2 N=C(N)N NO19174 [2,0,0,0,0,0|2,0,0]=4 277 B3R0.2 NC(N)=S NO12023 [2,0,0,0,0,0|1,1,0]=4 278 B3R0.2 N[13C](N)=O DY454839 [2,0,0,0,0,0|1,0,0]=3 279 B3R0.2 O=C([O-])O DY822972 [2,0,0,0,0,0|1,0,0]=3 280 B3R0.2 O=C([O-])[O-] DY557709 [2,0,0,0,0,0|1,0,1]=4 281 B3R0.2 O=C([O-])[O-] DY822905 [2,0,0,0,0,0|1,0,1]=4 282 B3R0.2 O=C([O-])[O-] DY822921 [2,0,0,0,0,0|1,0,1]=4 283 B3R0.2 O=C([O-])[O-] NO11119 [2,0,0,0,0,0|1,0,1]=4 284 B3R0.2 O=S([O-])O DY445110 [2,0,0,0,0,0|2,0,0]=4 285 B3R0.2 O=[Se](O)O DY822562 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.3 C=C(CO)CO NO21689 [1,1,0,0,0,0|2,0,0]=4 287 B5R0.3 CCC(=O)OC DY460566 [1,1,0,0,0,0|0,0,0]=2 288 B5R0.3 CCC(N)CO DY20718 [1,1,0,0,0,0|1,0,1]=4 289 B5R0.3 CCC(N)CO DY741331 [1,1,0,0,0,0|1,0,1]=4 290 B5R0.3 CCC(O)CN DY519471 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.3 CCC(O)CO DY822703 [1,1,0,0,0,0|0,0,2]=4 292 B5R0.3 CCN(O)CC DY551655 [1,1,0,0,0,0|2,0,0]=4 293 B5R0.3 CC[C@@H](N)CO NO15119 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.3 CC[C@H](N)CO DY10528 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.3 CC[C@H](O)CO NO15622 [1,1,0,0,0,0|0,0,2]=4 296 B5R0.3 CNC(=O)CCl DY21094 [1,1,0,0,0,0|2,0,0]=4 297 B5R0.3 CNC(=O)CN DY437710 [1,1,0,0,0,0|1,0,0]=3 298 B5R0.3 CNC(=O)CN DY542271 [1,1,0,0,0,0|1,0,0]=3 299 B5R0.3 COC(=O)CF DY822286 [1,1,0,0,0,0|1,0,0]=3 300 B5R0.3 COC(=O)CN NO15045 [1,1,0,0,0,0|0,0,0]=2 301 B5R0.3 COC(=O)CO NO19433 [1,1,0,0,0,0|1,0,0]=3 302 B5R0.3 COC(=O)CS DY20578 [1,1,0,0,0,0|1,0,0]=3 303 B5R0.3 COC(=O)NN DY20825 [1,1,0,0,0,0|1,0,0]=3 304 B5R0.3 COC(=S)NN DY536997 [1,1,0,0,0,0|1,1,0]=4 305 B5R0.3 CO[C@H](C)CN DY622119 [1,1,0,0,0,0|1,0,1]=4 306 B5R0.3 CO[C@H](C)CN NO17733 [1,1,0,0,0,0|1,0,1]=4 307 B5R0.3 NCC(O)CN NO14232 [1,1,0,0,0,0|1,0,1]=4 308 B5R0.3 NCC(O)CO NO18397 [1,1,0,0,0,0|0,0,2]=4 309 B5R0.3 NC[C@@H](O)CO NO14832 [1,1,0,0,0,0|0,0,2]=4 310 B5R0.3 NC[C@H](O)CCl DY427329 [1,1,0,0,0,0|1,0,1]=4 311 B5R0.3 NC[C@H](O)CO DY20311 [1,1,0,0,0,0|0,0,2]=4 312 B5R0.3 NNC(=O)NN DY822657 [1,1,0,0,0,0|2,0,0]=4 313 B5R0.3 O=C(CBr)CBr DY572985 [1,1,0,0,0,0|2,0,0]=4 314 B5R0.3 O=C(CO)CO NO11245 [1,1,0,0,0,0|1,0,0]=3 315 B5R0.4 CC(C)(O)CN NO20593 [1,1,0,0,0,0|1,0,1]=4 316 B5R0.4 CCP(=O)(O)O DY566847 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.5 C=C(C)C(=O)O DY740707 [1,1,0,0,0,0|0,0,1]=3 318 B5R0.5 CC(=O)C(C)C DY740329 [1,1,0,0,0,0|1,0,0]=3 319 B5R0.5 CC(=O)C(C)Cl DY740749 [1,1,0,0,0,0|1,0,0]=3 320 B5R0.5 CC(C)B(O)O DY454222 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.5 CC(C)C(N)=O NO21696 [1,1,0,0,0,0|1,0,0]=3 322 B5R0.5 CC(O)C(N)=O DY538347 [1,1,0,0,0,0|1,0,0]=3 323 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [1,1,0,0,0,0|0,0,0]=2 324 B5R0.5 C[C@@H](N)C(N)=O NO15732 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [1,1,0,0,0,0|0,0,1]=3 326 B5R0.5 C[C@H](Br)C(=O)O DY20444 [1,1,0,0,0,0|0,0,0]=2 327 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [1,1,0,0,0,0|0,0,0]=2 328 B5R0.5 C[C@H](N)C(=O)O NO19143 [1,1,0,0,0,0|0,0,0]=2 329 B5R0.5 C[C@H](N)C(=O)S DY572427 [1,1,0,0,0,0|0,1,0]=3 330 B5R0.5 C[C@H](N)C(N)=O NO22529 [1,1,0,0,0,0|1,0,0]=3 331 B5R0.5 C[C@H](O)C(N)=O DY624997 [1,1,0,0,0,0|1,0,0]=3 332 B5R0.5 N=C(N)S(=O)O DY531987 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.5 NC(=O)C(N)=O DY20822 [1,1,0,0,0,0|1,0,1]=4 334 B5R0.5 O=C(Cl)C(F)Cl DY794697 [1,1,0,0,0,0|2,0,0]=4 335 B5R0.5 O=C(O)C(=O)O DY563517 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.5 O=C(O)C(=O)O DY822364 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.5 O=C(O)C(=O)O NO11387 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.5 O=C(O)C(Cl)Cl DY740833 [1,1,0,0,0,0|1,0,0]=3 339 B5R0.5 O=C([O-])C(=O)O DY822607 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.5 O=C([O-])C(Cl)Cl DY21032 [1,1,0,0,0,0|1,0,1]=4 341 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [1,1,0,0,0,0|0,0,0]=2 342 B5R0.2 C=CCCCBr DY460284 [1,1,0,0,0,0|2,0,0]=4 343 B5R0.2 C=CCC[Zn]Br DY121337 [1,1,0,0,0,0|2,0,0]=4 344 B5R0.2 CC\C=C\CO DY527871 [1,1,0,0,0,0|1,0,1]=4 345 B5R0.2 CNCCC#N NO22369 [1,1,0,0,0,0|1,0,1]=4 346 B5R0.2 CNCCCO NO14200 [1,1,0,0,0,0|0,0,1]=3 347 B5R0.2 CNCCNC NO15116 [1,1,0,0,0,0|2,0,0]=4 348 B5R0.2 COCCCBr NO20649 [1,1,0,0,0,0|1,0,1]=4 349 B5R0.2 COCCCO NO20039 [1,1,0,0,0,0|1,0,1]=4 350 B5R0.2 CSCCCO DY557199 [1,1,0,0,0,0|1,0,1]=4 351 B5R0.2 C\C=C\CCO DY799773 [1,1,0,0,0,0|2,0,0]=4 352 B5R0.2 N#CCCCN DY548775 [1,1,0,0,0,0|1,0,1]=4 353 B5R0.2 NCCCCBr NO14979 [1,1,0,0,0,0|1,0,1]=4 354 B5R0.2 NCCCCN NO19906 [1,1,0,0,0,0|1,0,1]=4 355 B5R0.2 NOC\C=C\Cl DY583173 [1,1,0,0,0,0|1,0,1]=4 356 B5R0.2 OCCCCF DY822291 [1,1,0,0,0,0|1,0,1]=4 357 B5R0.2 OC\C=C\CCl DY10262 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.2 CC(=O)OC(Br)CBr DY793431 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.2 CC(C)CC(=O)CN DY540483 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.2 CC(C)OC(=O)CO NO11522 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.2 CC[C@@H](N)CC(=O)O DY628125 [0,2,0,0,0,0|0,0,0]=2 363 B7R0.2 CC[C@@H](N)CC(=O)O DY700188 [0,2,0,0,0,0|0,0,0]=2 364 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,2,0,0,0,0|0,0,1]=3 365 B7R0.2 CNC(C)CC(=O)O DY606375 [0,2,0,0,0,0|0,0,0]=2 366 B7R0.2 COC(=O)CC(=O)O NO13436 [0,2,0,0,0,0|1,0,1]=4 367 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [0,2,0,0,0,0|1,0,1]=4 368 B7R0.2 COC(=O)CC(N)=O DY557829 [0,2,0,0,0,0|0,0,1]=3 369 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,2,0,0,0,0|0,0,0]=2 370 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,2,0,0,0,0|0,0,0]=2 372 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.2 COC(=O)\C=C(/C)N NO13690 [0,2,0,0,0,0|0,0,2]=4 374 B7R0.2 NC[C@@H](F)C[PH](=O)O DY549963 [0,2,0,0,0,0|1,0,0]=3 375 B7R0.2 NC[C@H](O)CC(=O)O NO16710 [0,2,0,0,0,0|0,0,0]=2 376 B7R0.3 C#CCCC(=O)OC DY424002 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,2,0,0,0,0|1,0,1]=4 378 B7R0.3 COC(=O)CCC#N DY553731 [0,2,0,0,0,0|0,0,1]=3 379 B7R0.3 COC(=O)CCC=O DY21172 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.3 COC(=O)\C=C\CBr NO13509 [0,2,0,0,0,0|1,0,1]=4 381 B7R0.3 COC(=O)\C=C\CN DY583653 [0,2,0,0,0,0|0,0,1]=3 382 B7R0.3 COCC\C(N)=N\O DY610313 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.5 C#CC[C@@H](N)C(=O)O DY21037 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.5 C#CC[C@H](N)C(=O)O NO13900 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.5 CCCC(=O)N(C)C DY584357 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.5 CCCC(C)C(C)=O DY740965 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.5 CCC[C@@H](N)C(=O)O NO10518 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.5 CCC[C@H](N)C(=O)O NO17028 [0,2,0,0,0,0|1,0,0]=3 389 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,2,0,0,0,0|2,0,0]=4 390 B7R0.5 CN(C)C(=O)CCO DY606315 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.5 COC[C@@H](N)C(=O)O NO12183 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.5 COC[C@H](N)C(=O)O NO16755 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.5 COC[C@H](N)C(=O)O NO20335 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.5 NC(CCO)C(=O)O NO13886 [0,2,0,0,0,0|1,0,0]=3 395 B7R0.5 NCCC(N)C(=O)O DY700789 [0,2,0,0,0,0|0,0,0]=2 396 B7R0.5 NCCC(N)C(=O)O NO15080 [0,2,0,0,0,0|0,0,0]=2 397 B7R0.5 NCCC(O)C(=O)O NO15496 [0,2,0,0,0,0|0,0,0]=2 398 B7R0.5 NCC[C@@H](O)C(=O)O DY703039 [0,2,0,0,0,0|0,0,0]=2 399 B7R0.5 NCC[C@H](N)C(=O)O DY439091 [0,2,0,0,0,0|0,0,0]=2 400 B7R0.5 NCC[C@H](O)C(=O)O NO21759 [0,2,0,0,0,0|0,0,0]=2 401 B7R0.5 N[C@@H](CCO)C(=O)O NO22620 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.5 N[C@H](CCO)C(=O)O NO16701 [0,2,0,0,0,0|1,0,0]=3 403 B7R0.7 CCOC(=O)CC=O DY586084 [0,2,0,0,0,0|1,0,1]=4 404 B7R0.7 CCOC(=O)CCN NO14330 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.7 CCOC(=O)CNC NO17068 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.7 CCOC(=O)CNN NO19987 [0,2,0,0,0,0|1,0,0]=3 407 B7R0.7 CCOC(=O)COC NO11389 [0,2,0,0,0,0|2,0,0]=4 408 B7R0.7 O=C(CCCl)CCCl NO19912 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.7 O=C(NCO)NCO DY521673 [0,2,0,0,0,0|2,0,0]=4 410 B7R0.10 C=C(CBr)C(=O)OC NO11592 [0,2,0,0,0,0|1,0,1]=4 411 B7R0.10 C=C(CC)C(=O)OC DY541119 [0,2,0,0,0,0|1,0,1]=4 412 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.10 COC(=O)C(=O)CBr NO15824 [0,2,0,0,0,0|1,0,1]=4 414 B7R0.10 COC(=O)C(Br)CBr DY740875 [0,2,0,0,0,0|1,0,0]=3 415 B7R0.10 COC(=O)C(C)OC DY822756 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.10 COC(=O)C(F)CO NO17081 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.10 COC(=O)C(N)CCl NO22615 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.10 COC(=O)C(N)CO NO16785 [0,2,0,0,0,0|1,0,0]=3 419 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,2,0,0,0,0|1,0,0]=3 420 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,2,0,0,0,0|1,0,0]=3 422 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,2,0,0,0,0|1,0,0]=3 423 B7R0.10 NNC(=O)[C@@H](N)CO DY624415 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.10 O=C[C@H](O)[C@H](O)CO DY561741 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.9 CC(=O)CC(C)(C)O DY740611 [0,2,0,0,0,0|2,0,0]=4 426 B7R0.9 CC(C)(C)CC(=O)Cl DY568221 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.9 CC(C)(C)CC(=O)O NO22814 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.9 CC(C)(N)CC(=O)O NO14805 [0,2,0,0,0,0|0,0,0]=2 429 B7R0.9 CC(C)(N)CC(=O)O NO17039 [0,2,0,0,0,0|0,0,0]=2 430 B7R0.9 CC(C)(O)CC(=O)[O-] DY791319 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.9 C[N+](C)(C)CC(=O)O DY562113 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.16 CC(=O)C(N)C(=O)O DY700663 [0,2,0,0,0,0|1,0,1]=4 433 B7R0.16 CC(Br)C(Br)C(=O)O DY822548 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.16 CC(C)[C@@H](N)C(N)=O NO11445 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.16 CC(C)[C@H](N)C(=O)O NO19285 [0,2,0,0,0,0|1,0,0]=3 436 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O NO22619 [0,2,0,0,0,0|1,0,0]=3 437 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O DY438202 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.16 C[C@H](C(=O)O)N(C)C DY608460 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O DY702847 [0,2,0,0,0,0|0,0,0]=2 440 B7R0.16 C[C@H](O)[C@H](N)C(=O)O NO16722 [0,2,0,0,0,0|1,0,0]=3 441 B7R0.16 O=C(O)C(=O)C(Br)Br NO18490 [0,2,0,0,0,0|1,0,1]=4 442 B7R0.13 CC(C)(CN)C(=O)O DY535611 [0,2,0,0,0,0|0,0,0]=2 443 B7R0.13 CC(C)(CN)C(N)=O NO22038 [0,2,0,0,0,0|1,0,0]=3 444 B7R0.13 CC(C)(CO)C(=O)O NO19743 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.13 CC(N)(CO)C(=O)O DY559497 [0,2,0,0,0,0|1,0,0]=3 446 B7R0.13 CCC(C)(C)C(C)=O DY792897 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.13 CCC(C)(N)C(=O)O DY628689 [0,2,0,0,0,0|1,0,0]=3 448 B7R0.13 C[C@](O)(CBr)C(=O)O NO14051 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.15 CCC(CC)C(=O)[O-] DY21097 [0,2,0,0,0,0|1,0,1]=4 450 B7R0.15 CC[C@H](CO)C(=O)O DY621945 [0,2,0,0,0,0|1,0,0]=3 451 B7R0.4 C#CCCCC(=O)O NO14686 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.4 CC(=O)CCCCBr NO10627 [0,2,0,0,0,0|2,0,0]=4 453 B7R0.4 CC(O)COCCN DY560097 [0,2,0,0,0,0|1,0,1]=4 454 B7R0.4 CCCCCC(=O)Cl DY822275 [0,2,0,0,0,0|2,0,0]=4 455 B7R0.4 CCCOCC(=O)O DY425744 [0,2,0,0,0,0|1,0,0]=3 456 B7R0.4 CCCSCC(N)=O DY742801 [0,2,0,0,0,0|2,0,0]=4 457 B7R0.4 CCO\C=C\C(=O)O NO22271 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.4 CNCCCC(=O)O DY702793 [0,2,0,0,0,0|0,0,0]=2 459 B7R0.4 N#CCSCC(=O)O DY796389 [0,2,0,0,0,0|0,0,1]=3 460 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,2,0,0,0,0|2,0,0]=4 461 B7R0.4 [N-]=[N+]=NCCC(=O)O DY457240 [0,2,0,0,0,0|0,0,1]=3 462 B7R0.6 C=C(C)CCC(=O)O NO16527 [0,2,0,0,0,0|1,0,0]=3 463 B7R0.6 CC(=O)CCC(=O)O NO18688 [0,2,0,0,0,0|1,0,0]=3 464 B7R0.6 CC(=O)NCC(=O)O NO19131 [0,2,0,0,0,0|1,0,1]=4 465 B7R0.6 CC(=O)SCC(=O)O DY447723 [0,2,0,0,0,0|1,0,1]=4 466 B7R0.6 CN(C)CCC(=O)O NO12169 [0,2,0,0,0,0|0,0,0]=2 467 B7R0.6 N=C(N)NCC(=O)O DY550479 [0,2,0,0,0,0|0,0,1]=3 468 B7R0.8 CCCOS(=O)(=O)O DY798855 [0,2,0,0,0,0|2,0,0]=4 469 B7R0.8 CNCCC(C)(C)O DY603812 [0,2,0,0,0,0|1,0,1]=4 470 B7R0.8 NCCCP(=O)(O)O NO22520 [0,2,0,0,0,0|1,0,0]=3 471 B7R0.8 NCCCS(N)(=O)=O DY569925 [0,2,0,0,0,0|1,0,1]=4 472 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|1,0,0]=3 473 B5R1.2 O=C1CCO1 DY561045 [1,0,0,1,0,0|0,0,0]=2 474 B5R1.2 O=C1COC1 NO22391 [1,0,0,1,0,0|2,0,0]=4 475 B5R1.2 O=C1CSC1 NO13345 [1,0,0,1,0,0|2,0,0]=4 476 B5R1.2 O=C1O[Mg]O1 DY566343 [1,0,0,1,0,0|2,0,0]=4 477 B5R1.2 OC1CCC1 NO11176 [1,0,0,1,0,0|1,0,1]=4 478 B5R1.2 OC1CNC1 NO14687 [1,0,0,1,0,0|1,0,1]=4 479 B5R1.3 CC[C@H]1CO1 DY20699 [1,0,0,1,0,0|1,0,1]=4 480 B5R1.1 C1=CCNC1 DY10278 [1,0,0,1,0,0|1,0,1]=4 481 B5R1.1 C1=CCNC1 DY798015 [1,0,0,1,0,0|1,0,1]=4 482 B5R1.1 C1=NCCO1 DY793809 [1,0,0,1,0,0|2,0,0]=4 483 B5R1.1 C1CNNC1 NO16750 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.1 COC1=NCCC1 NO10423 [0,1,0,1,0,0|2,0,0]=4 485 B7R1.1 COC1CCNC1 NO22350 [0,1,0,1,0,0|1,0,1]=4 486 B7R1.1 CO[C@@H]1CCNC1 NO12137 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.1 CO[C@H]1CCNC1 DY510861 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.1 CO[C@H]1CCNC1 NO12136 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.1 O=CC1=CCCC1 NO12865 [0,1,0,1,0,0|2,0,0]=4 490 B7R1.1 OCC1CCNC1 NO11284 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.1 OCC1CCNC1 NO16764 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.1 OCC1CCNC1 NO18341 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.1 OC[C@@H]1CCNC1 DY115660 [0,1,0,1,0,0|1,0,1]=4 494 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,1,0,1,0,0|2,0,0]=4 495 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.2 CC1CCC(=O)N1 DY505299 [0,1,0,1,0,0|2,0,0]=4 498 B7R1.2 CN1CCC(=O)C1 NO20760 [0,1,0,1,0,0|1,0,0]=3 499 B7R1.2 CN1CC[C@@H](O)C1 DY20690 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,1,0,1,0,0|2,0,0]=4 501 B7R1.2 C[C@@H]1C[C@@H](O)CN1 DY621044 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,1,0,1,0,0|2,0,0]=4 503 B7R1.2 NC1=CC(=O)CS1 DY786970 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.2 NC1=NNC(=O)C1 NO14532 [0,1,0,1,0,0|1,0,1]=4 505 B7R1.2 NC1CCC(O)C1 NO14798 [0,1,0,1,0,0|1,0,1]=4 506 B7R1.2 N[C@@H]1CC[C@@H](O)C1 NO12946 [0,1,0,1,0,0|1,0,1]=4 507 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,1,0,1,0,0|0,0,0]=2 508 B7R1.2 N[C@H]1CC[C@@H](O)C1 NO15869 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.2 N[C@H]1CC[C@H](O)C1 DY620382 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.2 N[C@H]1CNC(=O)C1 DY516501 [0,1,0,1,0,0|1,0,0]=3 511 B7R1.2 N[C@H]1CNC(=O)C1 DY535689 [0,1,0,1,0,0|1,0,0]=3 512 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,1,0,1,0,0|0,0,0]=2 513 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.2 O=C1CC(O)CN1 NO14706 [0,1,0,1,0,0|2,0,0]=4 515 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,1,0,1,0,0|2,0,0]=4 516 B7R1.2 O=C1CCC(=O)N1 DY822949 [0,1,0,1,0,0|2,0,0]=4 517 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,1,0,1,0,0|1,0,0]=3 518 B7R1.2 O=C1C[C@H](O)CN1 NO16472 [0,1,0,1,0,0|2,0,0]=4 519 B7R1.3 O=C1C=CCCN1 NO15771 [0,1,0,1,0,0|2,0,0]=4 520 B7R1.3 O=C1C=CCOC1 NO17023 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.3 O=C1CCCCO1 NO11208 [0,1,0,1,0,0|1,0,0]=3 522 B7R1.3 O=C1CCCNC1 DY557319 [0,1,0,1,0,0|1,0,0]=3 523 B7R1.3 O=C1CCCNC1 NO17767 [0,1,0,1,0,0|1,0,0]=3 524 B7R1.3 O=C1CCOCC1 NO13380 [0,1,0,1,0,0|2,0,0]=4 525 B7R1.3 O=C1CCSCC1 NO18797 [0,1,0,1,0,0|2,0,0]=4 526 B7R1.3 O=C1CNCCN1 NO19142 [0,1,0,1,0,0|1,0,0]=3 527 B7R1.3 O=C1COCCN1 NO11697 [0,1,0,1,0,0|2,0,0]=4 528 B7R1.3 O=C1COCCO1 DY20725 [0,1,0,1,0,0|1,0,0]=3 529 B7R1.3 O=S1CCNCC1 DY570699 [0,1,0,1,0,0|2,0,0]=4 530 B7R1.3 OC1CCCNC1 NO22642 [0,1,0,1,0,0|1,0,1]=4 531 B7R1.3 OC1CCNCC1 NO22643 [0,1,0,1,0,0|1,0,1]=4 532 B7R1.3 O[C@@H]1CCCNC1 NO17016 [0,1,0,1,0,0|1,0,1]=4 533 B7R1.3 O[C@H]1CCCNC1 NO17020 [0,1,0,1,0,0|1,0,1]=4 534 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,1,0,0|1,0,0]=3 535 B7R1.4 CC1OCCC1=O NO14135 [0,1,0,1,0,0|2,0,0]=4 536 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,1,0,1,0,0|1,0,1]=4 537 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,1,0,1,0,0|1,0,1]=4 538 B7R1.4 NC1CONC1=O NO19264 [0,1,0,1,0,0|2,0,0]=4 539 B7R1.4 NN1CCOC1=O DY774063 [0,1,0,1,0,0|2,0,0]=4 540 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,1,0,1,0,0|1,0,0]=3 541 B7R1.4 N[C@@H]1CONC1=O NO22528 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,1,0,1,0,0|1,0,0]=3 543 B7R1.4 O=C1CCC=C1Br DY504081 [0,1,0,1,0,0|2,0,0]=4 544 B7R1.4 O=C1CCC=C1O NO14654 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.4 O=C1CCCC1Cl DY567621 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.4 O=C1NCCC1O DY444274 [0,1,0,1,0,0|0,0,1]=3 547 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,1,0,1,0,0|0,0,1]=3 548 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,1,0,1,0,0|0,0,1]=3 549 B7R1.4 O[C@@H]1CNC[C@@H]1F DY586649 [0,1,0,1,0,0|1,0,1]=4 550 B7R1.4 O[C@@H]1CNC[C@H]1F DY457961 [0,1,0,1,0,0|1,0,1]=4 551 B7R1.4 O[C@H]1CNC[C@@H]1O NO20186 [0,1,0,1,0,0|1,0,1]=4 552 B7R1.9 NCC1CC1CO DY528789 [0,1,0,1,0,0|1,0,1]=4 553 B7R1.10 CN[C@H]1C[C@H](O)C1 DY522027 [0,1,0,1,0,0|1,0,1]=4 554 B7R1.10 COC1CC(=O)N1 DY548379 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.10 NCC1CC(=O)C1 DY522525 [0,1,0,1,0,0|1,0,0]=3 556 B7R1.10 NC[C@H]1C[C@H](O)C1 DY101929 [0,1,0,1,0,0|1,0,1]=4 557 B7R1.21 NCCC1(O)CC1 DY576975 [0,1,0,1,0,0|1,0,1]=4 558 B7R1.22 CCC(=O)C1CC1 DY566457 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.22 N=C(NO)C1CC1 NO11781 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.22 N\C(=N/O)C1CC1 DY584404 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.22 O=C(CO)C1CC1 DY758275 [0,1,0,1,0,0|1,0,0]=3 562 B7R1.12 O=C(O)[C@@H]1C[C@@H]1O DY758659 [0,1,0,1,0,0|1,0,0]=3 563 B7R1.12 O=C(O)[C@@H]1C[C@H]1O DY758671 [0,1,0,1,0,0|1,0,0]=3 564 B7R1.12 O=C(O)[C@H]1C[C@H]1F DY21162 [0,1,0,1,0,0|1,0,0]=3 565 B7R1.16 C[C@]1(N)C[C@@H](O)C1 DY103487 [0,1,0,1,0,0|1,0,1]=4 566 B7R1.16 NC1CS(=O)(=O)C1 DY577347 [0,1,0,1,0,0|1,0,1]=4 567 B7R1.20 O=C(O)C[C@H]1CO1 DY506016 [0,1,0,1,0,0|1,0,0]=3 568 B7R1.18 NC(=O)C1CNC1 DY10515 [0,1,0,1,0,0|1,0,0]=3 569 B7R1.18 NC(=O)C1CNC1 DY10516 [0,1,0,1,0,0|1,0,0]=3 570 B7R1.18 O=C(O)C1CCC1 NO22786 [0,1,0,1,0,0|1,0,0]=3 571 B7R1.18 O=C(O)C1CCN1 NO18844 [0,1,0,1,0,0|0,0,0]=2 572 B7R1.18 O=C(O)C1CNC1 NO16485 [0,1,0,1,0,0|0,0,0]=2 573 B7R1.18 O=C(O)C1COC1 NO22389 [0,1,0,1,0,0|1,0,0]=3 574 B7R1.18 O=C(O)[C@@H]1CCN1 DY718876 [0,1,0,1,0,0|0,0,0]=2 575 B7R1.18 O=C(O)[C@H]1CCN1 NO16493 [0,1,0,1,0,0|0,0,0]=2 576 B7R1.18 O=C(O)[C@H]1CCN1 NO16972 [0,1,0,1,0,0|0,0,0]=2 577 B7R1.19 NC1(C(=O)O)CC1 DY567315 [0,1,0,1,0,0|1,0,0]=3 578 B7R1.19 NC1(C(=O)O)CC1 NO16477 [0,1,0,1,0,0|1,0,0]=3 579 B7R1.19 O=C(O)C1(Br)CC1 NO15760 [0,1,0,1,0,0|1,0,0]=3 580 B7R1.19 O=C(O)C1(F)CC1 NO13809 [0,1,0,1,0,0|1,0,0]=3