0 B5R0.3 C=CC(Cl)CCl DY740791 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=CC(N)CO DY579231 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.3 C=C[C@H](O)CO DY625759 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 CCC(=O)OC DY460566 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.3 CNC(=O)CCl DY21094 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CNC(=O)CN DY437710 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CNC(=O)CN DY542271 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.3 COC(=O)CF DY822286 [0,0,0,0,0,0|1,0,1]=2 8 B5R0.3 COC(=O)CN NO15045 [0,0,0,0,0,0|1,0,1]=2 9 B5R0.3 COC(=O)CO NO19433 [0,0,0,0,0,0|1,0,1]=2 10 B5R0.3 COC(=O)CS DY20578 [0,0,0,0,0,0|1,0,1]=2 11 B5R0.3 COC(=O)NN DY20825 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 COC(=S)NN DY536997 [0,0,0,0,0,0|2,1,0]=3 13 B5R0.3 CO[C@H](C)CN DY622119 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 CO[C@H](C)CN NO17733 [0,0,0,0,0,0|2,0,2]=4 15 B5R0.3 CO[C@H](C)CO NO12306 [0,0,0,0,0,0|2,0,2]=4 16 B5R0.3 NNC(=O)NN DY822657 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 O=C(CBr)CBr DY572985 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 O=C(CO)CO NO11245 [0,0,0,0,0,0|3,0,1]=4 19 B4R0.1 C=CC(N)=O DY822472 [1,0,0,0,0,0|1,0,0]=2 20 B4R0.1 CC(=O)CBr DY20986 [1,0,0,0,0,0|1,0,1]=3 21 B4R0.1 CC(=O)CN NO10921 [1,0,0,0,0,0|1,0,1]=3 22 B4R0.1 CC(=O)CO NO11467 [1,0,0,0,0,0|1,0,1]=3 23 B4R0.1 CC(=O)NN NO10881 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 CC(=O)NO NO14961 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 CC(C)=NO NO10884 [1,0,0,0,0,0|3,0,0]=4 26 B4R0.1 CCC(N)=O NO11886 [1,0,0,0,0,0|2,0,0]=3 27 B4R0.1 CNC(N)=S NO11797 [1,0,0,0,0,0|2,1,0]=4 28 B4R0.1 COC(=N)N DY546861 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.1 COC(N)=O NO11667 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 C\C(N)=N\O NO10879 [1,0,0,0,0,0|3,0,0]=4 31 B4R0.1 C\C=C(/C)Br DY10255 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 FC(F)=CCl DY794691 [1,0,0,0,0,0|3,0,0]=4 33 B4R0.1 NC(=O)CBr NO21389 [1,0,0,0,0,0|2,0,1]=4 34 B4R0.1 NC(=O)CS DY570543 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 NCC(=O)O NO19951 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 NCC(=O)[O-] DY20522 [1,0,0,0,0,0|1,0,2]=4 37 B4R0.1 NCC(=O)[O-] DY795873 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.1 NCC(=O)[O-] NO10910 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.1 NCC(N)=O NO13806 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.1 NNC(N)=O NO11949 [1,0,0,0,0,0|3,0,0]=4 41 B4R0.1 O=C(Br)CBr DY796737 [1,0,0,0,0,0|2,0,1]=4 42 B4R0.1 O=C(Cl)CBr DY21000 [1,0,0,0,0,0|2,0,1]=4 43 B4R0.1 O=C(O)CO NO19334 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 O=C([O-])CS DY822459 [1,0,0,0,0,0|1,0,2]=4 45 B4R0.2 C#C\C=C\C DY822380 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 C=CCCN DY740341 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.2 COCC=O DY740317 [1,0,0,0,0,0|1,0,1]=3 48 B4R0.2 COCCBr DY578823 [1,0,0,0,0,0|1,0,2]=4 49 B4R0.2 COCCN DY822486 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 COCCO DY457570 [1,0,0,0,0,0|1,0,2]=4 51 B6R0.1 C=CC(=O)NCO DY580281 [0,1,0,0,0,0|1,0,0]=2 52 B6R0.1 C=CC(O)CCN DY787899 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 CCCC(=O)NN NO22544 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CCNC(=O)CN DY461322 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 CCOC(=O)CC DY460554 [0,1,0,0,0,0|0,0,2]=3 56 B6R0.1 CCOC(=O)CN DY700831 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.1 CCOC(=O)CN NO15347 [0,1,0,0,0,0|1,0,1]=3 58 B6R0.1 CCOC(=O)CO NO11386 [0,1,0,0,0,0|1,0,1]=3 59 B6R0.1 CCOC(=O)NN NO11383 [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 CNC(=O)CC#N NO18404 [0,1,0,0,0,0|1,0,2]=4 61 B6R0.1 COC(=N)CCCl DY799605 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.1 COC(=O)CC=O DY740485 [0,1,0,0,0,0|0,0,1]=2 63 B6R0.1 COC(=O)CCCl DY741043 [0,1,0,0,0,0|0,0,2]=3 64 B6R0.1 COC(=O)CCN NO22266 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.1 COC(=O)CSC DY460536 [0,1,0,0,0,0|0,0,2]=3 66 B6R0.1 COCC(=O)NN NO11580 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 O=C(CCl)NCO NO14580 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.3 C=CC(=O)N(C)C DY545499 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.3 CC(C)C(=O)CCl DY740659 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.3 CC(O)C(=O)O[Ag] DY527883 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.3 CCC(=O)C(=O)O NO21626 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.3 CN(C)C(=O)CBr NO14025 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 CN(C)C(=O)CCl DY545469 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.3 CN(C)C(=O)CN NO21306 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.3 CNC(=O)[C@@H](C)N DY608176 [0,1,0,0,0,0|1,0,2]=4 76 B6R0.3 CNC(=O)[C@H](C)N DY436151 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.3 COC(=O)C(C)Br NO14958 [0,1,0,0,0,0|0,0,2]=3 78 B6R0.3 COC(=O)C(C)C DY41931 [0,1,0,0,0,0|0,0,2]=3 79 B6R0.3 COC(=O)C(C)N NO22242 [0,1,0,0,0,0|0,0,2]=3 80 B6R0.3 COC(=O)[C@@H](C)N NO16663 [0,1,0,0,0,0|0,0,2]=3 81 B6R0.3 COC(=O)[C@H](C)Cl NO15798 [0,1,0,0,0,0|0,0,2]=3 82 B6R0.3 COC(=O)[C@H](C)N DY500966 [0,1,0,0,0,0|0,0,2]=3 83 B6R0.3 COC(C)C(=O)O NO14024 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 CON(C)C(C)=O NO11789 [0,1,0,0,0,0|2,0,1]=4 85 B6R0.8 C=CS(=O)(=O)C=C DY822342 [0,1,0,0,0,0|2,0,1]=4 86 B6R0.9 C=CC(CC)CO DY822489 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.9 COC(C=O)OC DY822359 [0,1,0,0,0,0|1,0,2]=4 88 B6R1.2 BrC1=CC=CS1 NO21414 [0,0,0,1,0,0|1,1,1]=4 89 B6R1.2 BrC1=CC=C[Se]1 DY114898 [0,0,0,1,0,0|1,1,1]=4 90 B6R1.2 BrC1=CC=NN1 NO17757 [0,0,0,1,0,0|3,0,0]=4 91 B6R1.2 BrC1=COC=C1 NO19877 [0,0,0,1,0,0|3,0,0]=4 92 B6R1.2 BrC1=CSC=C1 NO21415 [0,0,0,1,0,0|3,0,0]=4 93 B6R1.2 BrC1=NNC=C1 NO19717 [0,0,0,1,0,0|3,0,0]=4 94 B6R1.2 BrC1=NOC=C1 DY113742 [0,0,0,1,0,0|3,0,0]=4 95 B6R1.2 BrC1=NSC=C1 NO11529 [0,0,0,1,0,0|3,0,0]=4 96 B6R1.2 CC1=CC=CN1 NO21660 [0,0,0,1,0,0|2,0,1]=4 97 B6R1.2 CC1=CC=CS1 NO21701 [0,0,0,1,0,0|1,1,1]=4 98 B6R1.2 CC1=CC=NN1 DY21108 [0,0,0,1,0,0|3,0,0]=4 99 B6R1.2 CC1=CNC=C1 DY20689 [0,0,0,1,0,0|3,0,0]=4 100 B6R1.2 CC1=NNC=C1 NO13720 [0,0,0,1,0,0|3,0,0]=4 101 B6R1.2 CC1=NOC=C1 NO11533 [0,0,0,1,0,0|3,0,0]=4 102 B6R1.2 IC1=CC=CS1 NO21616 [0,0,0,1,0,0|1,1,1]=4 103 B6R1.2 IC1=CSC=C1 NO22332 [0,0,0,1,0,0|3,0,0]=4 104 B6R1.2 IC1=NNC=C1 NO13669 [0,0,0,1,0,0|3,0,0]=4 105 B6R1.2 NC1=CC=NO1 DY459948 [0,0,0,1,0,0|2,0,0]=3 106 B6R1.2 NC1=CC=NS1 DY20989 [0,0,0,1,0,0|2,1,0]=4 107 B6R1.2 NC1=CSC=C1 NO12280 [0,0,0,1,0,0|3,0,0]=4 108 B6R1.2 NC1=NC=CO1 NO19070 [0,0,0,1,0,0|2,0,1]=4 109 B6R1.2 NC1=NNC=C1 DY645486 [0,0,0,1,0,0|3,0,0]=4 110 B6R1.2 NC1=NNC=C1 NO22527 [0,0,0,1,0,0|3,0,0]=4 111 B6R1.2 NC1=NOC=C1 NO14368 [0,0,0,1,0,0|3,0,0]=4 112 B6R1.2 O=C1CC=NN1 NO20496 [0,0,0,1,0,0|2,0,1]=4 113 B6R1.2 O=C1CCCC1 DY21085 [0,0,0,1,0,0|1,0,2]=4 114 B6R1.2 O=C1CCNC1 NO22412 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 O=C1CCOC1 NO18178 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 O=C1CCSC1 DY20305 [0,0,0,1,0,0|2,0,1]=4 117 B6R1.2 O=C1N=CCO1 DY565077 [0,0,0,1,0,0|1,0,0]=2 118 B6R1.2 O=C1NCCN1 NO21607 [0,0,0,1,0,0|2,0,1]=4 119 B6R1.2 S=C1NCCO1 DY561801 [0,0,0,1,0,0|1,1,1]=4 120 B6R1.4 NN1CCC1=O DY585858 [0,0,0,1,0,0|3,0,0]=4 121 B3R0.1 C#CC=O DY743011 [2,0,0,0,0,0|0,0,2]=4 122 B3R0.1 C=CCBr DY41858 [2,0,0,0,0,0|1,0,1]=4 123 B3R0.1 C=CCN DY500409 [2,0,0,0,0,0|1,0,1]=4 124 B3R0.1 CNC=O DY513177 [2,0,0,0,0,0|1,0,0]=3 125 B3R0.1 CNOC NO13986 [2,0,0,0,0,0|1,0,1]=4 126 B3R0.1 O=CC=O DY562899 [2,0,0,0,0,0|1,0,0]=3 127 B3R0.2 CC(=O)O DY562245 [2,0,0,0,0,0|0,0,1]=3 128 B3R0.2 CC(=O)[O-] DY564465 [2,0,0,0,0,0|1,0,0]=3 129 B3R0.2 CC(=O)[O-] DY822453 [2,0,0,0,0,0|1,0,0]=3 130 B3R0.2 CC(=O)[O-] DY822777 [2,0,0,0,0,0|1,0,0]=3 131 B3R0.2 CC(=O)[O-] DY822867 [2,0,0,0,0,0|1,0,0]=3 132 B3R0.2 CC(=O)[O-] DY822906 [2,0,0,0,0,0|1,0,0]=3 133 B3R0.2 CC(=O)[O-] DY822959 [2,0,0,0,0,0|1,0,0]=3 134 B3R0.2 CC(=O)[O-] DY822960 [2,0,0,0,0,0|1,0,0]=3 135 B3R0.2 CC(=O)[O-] NO11168 [2,0,0,0,0,0|1,0,0]=3 136 B3R0.2 CC(=O)[O-] NO11832 [2,0,0,0,0,0|1,0,0]=3 137 B3R0.2 CS(=O)[O-] DY434050 [2,0,0,0,0,0|2,0,0]=4 138 B3R0.2 CS(C)=O DY506586 [2,0,0,0,0,0|1,0,1]=4 139 B3R0.2 C[13C](=O)O DY454749 [2,0,0,0,0,0|0,0,1]=3 140 B3R0.2 C[PH](C)=O DY21075 [2,0,0,0,0,0|1,0,1]=4 141 B3R0.2 N[13C](N)=O DY454839 [2,0,0,0,0,0|2,0,0]=4 142 B3R0.2 O=C([O-])O DY822972 [2,0,0,0,0,0|1,0,0]=3 143 B3R0.2 O=C([O-])[O-] DY557709 [2,0,0,0,0,0|1,0,1]=4 144 B3R0.2 O=C([O-])[O-] DY822905 [2,0,0,0,0,0|1,0,1]=4 145 B3R0.2 O=C([O-])[O-] DY822921 [2,0,0,0,0,0|1,0,1]=4 146 B3R0.2 O=C([O-])[O-] NO11119 [2,0,0,0,0,0|1,0,1]=4 147 B3R0.2 O=S([O-])O DY445110 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.2 O=[Se](O)O DY822562 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.1 C=C(C)CCBr NO14513 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.1 CC#CC(=O)O DY20776 [1,1,0,0,0,0|0,0,2]=4 151 B5R0.1 CC(=O)O[Ru]Cl DY577947 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.1 CC(=O)\C=N\O NO11520 [1,1,0,0,0,0|1,0,0]=3 153 B5R0.1 CC(=O)\C=N\O NO18968 [1,1,0,0,0,0|1,0,0]=3 154 B5R0.1 CC(C)=CCBr DY41900 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 CC(C)=CCCl DY460578 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CC(C)=C[SiH2]Cl DY822351 [1,1,0,0,0,0|1,1,0]=4 157 B5R0.1 CCCC(=O)[O-] DY822775 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 CCCC(C)=O NO21731 [1,1,0,0,0,0|0,0,2]=4 159 B5R0.1 CCNC(C)=O DY564051 [1,1,0,0,0,0|0,0,2]=4 160 B5R0.1 CCOC(C)=N DY500026 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.1 CNCC(=O)O NO18595 [1,1,0,0,0,0|0,0,2]=4 162 B5R0.1 COCC(=N)N DY535605 [1,1,0,0,0,0|2,0,0]=4 163 B5R0.1 COCC(=O)O NO11579 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.1 CSCC(=O)O DY543879 [1,1,0,0,0,0|0,0,2]=4 165 B5R0.1 CSCC(N)=O NO12608 [1,1,0,0,0,0|1,1,0]=4 166 B5R0.1 C\C(N)=C/C#N DY506903 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 C\C=C\C(=O)O DY41882 [1,1,0,0,0,0|0,0,0]=2 168 B5R0.1 C\C=C\[C@H](C)O DY791877 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.1 NCCC(=O)O NO13499 [1,1,0,0,0,0|0,0,2]=4 170 B5R0.1 N\C=C\C(N)=O DY741355 [1,1,0,0,0,0|1,0,0]=3 171 B5R0.1 O=C(O)OCCl DY523719 [1,1,0,0,0,0|1,0,0]=3 172 B5R0.4 C=CC(C)(C)Br DY575625 [1,1,0,0,0,0|1,0,1]=4 173 B5R0.4 C=CC(C)(C)C DY822271 [1,1,0,0,0,0|1,0,1]=4 174 B5R0.4 C=C[Si](C)(C)C DY570321 [1,1,0,0,0,0|1,1,0]=4 175 B5R0.5 C=C(C)C(=O)O DY740707 [1,1,0,0,0,0|0,0,0]=2 176 B5R0.5 CC(=O)C(C)C DY740329 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.5 CC(=O)C(C)Cl DY740749 [1,1,0,0,0,0|0,0,2]=4 178 B5R0.5 CC(C)C(N)=O NO21696 [1,1,0,0,0,0|2,0,0]=4 179 B5R0.5 CC(O)C(N)=O DY538347 [1,1,0,0,0,0|2,0,0]=4 180 B5R0.5 C[C@@H](Br)C(=O)O DY788601 [1,1,0,0,0,0|0,0,2]=4 181 B5R0.5 C[C@@H](N)C(N)=O NO15732 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.5 C[C@@H](O)C(=O)[O-] DY580071 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.5 C[C@H](Br)C(=O)O DY20444 [1,1,0,0,0,0|0,0,2]=4 184 B5R0.5 C[C@H](Cl)C(=O)O DY20315 [1,1,0,0,0,0|0,0,2]=4 185 B5R0.5 C[C@H](N)C(=O)O NO19143 [1,1,0,0,0,0|0,0,2]=4 186 B5R0.5 C[C@H](N)C(=O)S DY572427 [1,1,0,0,0,0|2,0,0]=4 187 B5R0.5 C[C@H](N)C(N)=O NO22529 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.5 C[C@H](O)C(N)=O DY624997 [1,1,0,0,0,0|2,0,0]=4 189 B5R0.5 N=C(N)S(=O)O DY531987 [1,1,0,0,0,0|2,0,0]=4 190 B5R0.5 NC(=O)C(N)=O DY20822 [1,1,0,0,0,0|2,0,0]=4 191 B5R0.5 O=C(O)C(=O)O DY563517 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.5 O=C(O)C(=O)O DY822364 [1,1,0,0,0,0|1,0,0]=3 193 B5R0.5 O=C(O)C(=O)O NO11387 [1,1,0,0,0,0|1,0,0]=3 194 B5R0.5 O=C(O)C(Cl)Cl DY740833 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.5 O=C([O-])C(=O)O DY822607 [1,1,0,0,0,0|1,0,0]=3 196 B5R0.5 O=C([O-])C(=O)[O-] DY114602 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.5 O=C([O-])C(=O)[O-] DY506772 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.5 O=C([O-])C(=O)[O-] DY822276 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.5 O=C([O-])C(=O)[O-] DY822362 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.5 O=C([O-])C(=O)[O-] DY822363 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.5 O=C([O-])C(=O)[O-] DY822365 [1,1,0,0,0,0|1,0,1]=4 202 B5R0.5 O=C([O-])C(=O)[O-] DY822603 [1,1,0,0,0,0|1,0,1]=4 203 B5R0.5 O=C([O-])C(=O)[O-] DY822604 [1,1,0,0,0,0|1,0,1]=4 204 B5R0.5 O=C([O-])C(=O)[O-] DY822608 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.5 O=C([O-])C(=O)[O-] DY822919 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.5 [13CH3]C(N)C(=O)O DY454719 [1,1,0,0,0,0|0,0,2]=4 207 B5R0.2 C=CCCCBr DY460284 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.2 CCO\C=C\Br DY456448 [1,1,0,0,0,0|1,0,0]=3 209 B5R0.2 CC\C=C\CO DY527871 [1,1,0,0,0,0|1,0,1]=4 210 B5R0.2 C\C=C\CCO DY799773 [1,1,0,0,0,0|1,0,1]=4 211 B5R0.2 NOC\C=C\Cl DY583173 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.2 CC(C)OC(=O)CO NO11522 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.2 CNC(=O)CC(=O)O DY604593 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.2 COC(=O)CC(=O)O NO13436 [0,2,0,0,0,0|0,0,1]=3 217 B7R0.2 COC(=O)CC(=O)[O-] DY41937 [0,2,0,0,0,0|0,0,1]=3 218 B7R0.2 COC(=O)CC(N)=O DY557829 [0,2,0,0,0,0|0,0,1]=3 219 B7R0.2 COC(=O)C[C@@H](C)N DY460818 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.2 COC(=O)C[C@@H](C)O NO11584 [0,2,0,0,0,0|0,0,2]=4 221 B7R0.2 COC(=O)C[C@H](C)N DY625921 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.2 COC(=O)C[C@H](C)O DY559029 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.2 COC(=O)\C=C(/C)F DY822490 [0,2,0,0,0,0|0,0,0]=2 224 B7R0.2 COC(=O)\C=C(/C)N NO13690 [0,2,0,0,0,0|0,0,0]=2 225 B7R0.3 C#CCCC(=O)OC DY424002 [0,2,0,0,0,0|0,0,2]=4 226 B7R0.3 CC\C=C\C(=O)OC DY741019 [0,2,0,0,0,0|0,0,0]=2 227 B7R0.3 COC(=O)CCC#N DY553731 [0,2,0,0,0,0|0,0,2]=4 228 B7R0.3 COC(=O)CCC=O DY21172 [0,2,0,0,0,0|0,0,1]=3 229 B7R0.3 COC(=O)\C=C\CBr NO13509 [0,2,0,0,0,0|0,0,0]=2 230 B7R0.3 COC(=O)\C=C\CN DY583653 [0,2,0,0,0,0|0,0,0]=2 231 B7R0.3 CO\C=C\C(=O)OC NO11630 [0,2,0,0,0,0|0,0,0]=2 232 B7R0.5 CCOC(=O)C(Br)Br DY584292 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.5 CCOC(=O)C(C)C NO11388 [0,2,0,0,0,0|0,0,2]=4 234 B7R0.5 CCOC(=O)C(C)N DY628935 [0,2,0,0,0,0|0,0,2]=4 235 B7R0.5 CCOC(=O)C(F)F NO11385 [0,2,0,0,0,0|1,0,1]=4 236 B7R0.5 CCOC(=O)C(N)=S NO11392 [0,2,0,0,0,0|1,0,0]=3 237 B7R0.5 CCOC(=O)[C@@H](C)O NO20075 [0,2,0,0,0,0|0,0,2]=4 238 B7R0.7 CC#CC(=O)OCC NO10117 [0,2,0,0,0,0|0,0,2]=4 239 B7R0.7 CCOC(=O)CC=O DY586084 [0,2,0,0,0,0|0,0,1]=3 240 B7R0.7 CCOC(=O)CCN NO14330 [0,2,0,0,0,0|0,0,2]=4 241 B7R0.7 CCOC(=O)CNC NO17068 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.7 CCOC(=O)CNN NO19987 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.7 CCOC(=O)COC NO11389 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.7 CCOC(=O)\C=C\Br DY822474 [0,2,0,0,0,0|0,0,0]=2 245 B7R0.10 C=C(CBr)C(=O)OC NO11592 [0,2,0,0,0,0|0,0,0]=2 246 B7R0.10 C=C(CC)C(=O)OC DY541119 [0,2,0,0,0,0|0,0,0]=2 247 B7R0.10 CCC(Br)C(=O)OC NO14136 [0,2,0,0,0,0|0,0,2]=4 248 B7R0.10 COC(=O)C(=O)CBr NO15824 [0,2,0,0,0,0|0,0,1]=3 249 B7R0.10 COC(=O)C(Br)CBr DY740875 [0,2,0,0,0,0|0,0,2]=4 250 B7R0.10 COC(=O)C(C)OC DY822756 [0,2,0,0,0,0|0,0,2]=4 251 B7R0.10 COC(=O)C(F)CO NO17081 [0,2,0,0,0,0|0,0,2]=4 252 B7R0.10 COC(=O)C(N)CCl NO22615 [0,2,0,0,0,0|0,0,2]=4 253 B7R0.10 COC(=O)C(N)CO NO16785 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.10 COC(=O)[C@@H](N)CO DY700116 [0,2,0,0,0,0|0,0,2]=4 255 B7R0.10 COC(=O)[C@@H](N)CO NO22621 [0,2,0,0,0,0|0,0,2]=4 256 B7R0.10 COC(=O)[C@@H](O)CO DY429048 [0,2,0,0,0,0|0,0,2]=4 257 B7R0.10 COC(=O)[C@H](N)CO NO16778 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.10 COC(C)C(=O)NN DY604048 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.13 C=CS(=O)(=O)N(C)C NO12264 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.14 COC(=O)C(C)(C)F NO11604 [0,2,0,0,0,0|0,0,2]=4 261 B7R0.14 COC(=O)C(C)(C)N NO17071 [0,2,0,0,0,0|0,0,2]=4 262 B7R0.14 COC(=O)C(F)(F)Br DY822691 [0,2,0,0,0,0|1,0,1]=4 263 B7R0.16 CC(=O)C(=O)C(C)Br DY822550 [0,2,0,0,0,0|1,0,1]=4 264 B7R0.16 CC(C)C(=O)C(=O)[O-] NO22357 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.16 CN(C)C(=O)C(=O)O NO11735 [0,2,0,0,0,0|2,0,0]=4 266 B5R1.2 O=C1CCC1 DY10479 [1,0,0,1,0,0|0,0,2]=4 267 B5R1.2 O=C1CCO1 DY561045 [1,0,0,1,0,0|0,0,1]=3 268 B5R1.2 O=C1COC1 NO22391 [1,0,0,1,0,0|1,0,1]=4 269 B5R1.2 O=C1CSC1 NO13345 [1,0,0,1,0,0|1,0,1]=4 270 B5R1.2 O=C1O[Mg]O1 DY566343 [1,0,0,1,0,0|2,0,0]=4 271 B5R1.1 C1=CCNC1 DY10278 [1,0,0,1,0,0|1,0,1]=4 272 B5R1.1 C1=CCNC1 DY798015 [1,0,0,1,0,0|1,0,1]=4 273 B5R1.1 C1=CNC=C1 DY20798 [1,0,0,1,0,0|1,0,1]=4 274 B5R1.1 C1=CNN=C1 NO18933 [1,0,0,1,0,0|2,0,0]=4 275 B5R1.1 C1=COC=N1 DY546507 [1,0,0,1,0,0|1,0,1]=4 276 B5R1.1 C1=CON=C1 DY20462 [1,0,0,1,0,0|1,0,0]=3 277 B5R1.1 C1=CSN=C1 DY20995 [1,0,0,1,0,0|1,1,0]=4 278 B5R1.1 C1=C[CH-]C=C1 DY21078 [1,0,0,1,0,0|1,0,1]=4 279 B5R1.1 C1=NCCO1 DY793809 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.1 CCC1=NC=CN1 NO21533 [0,1,0,1,0,0|2,0,0]=4 281 B7R1.1 CNC1=CC=CS1 DY786838 [0,1,0,1,0,0|1,1,0]=4 282 B7R1.1 CNC1=NNC=C1 DY555147 [0,1,0,1,0,0|2,0,0]=4 283 B7R1.1 COC1=CC=CO1 DY759896 [0,1,0,1,0,0|0,0,1]=3 284 B7R1.1 COC1=CNC=N1 DY725797 [0,1,0,1,0,0|1,0,0]=3 285 B7R1.1 COC1=CSC=C1 NO22351 [0,1,0,1,0,0|0,1,0]=3 286 B7R1.1 COC1=NC=CS1 NO22597 [0,1,0,1,0,0|0,1,0]=3 287 B7R1.1 CSC1=NC=CO1 NO17723 [0,1,0,1,0,0|0,1,1]=4 288 B7R1.1 ClCC1=CC=CO1 NO13429 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.1 N#CC1=CC=NO1 NO17495 [0,1,0,1,0,0|2,0,0]=4 290 B7R1.1 O=CC1=CC=CN1 NO17764 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.1 O=CC1=CC=CS1 NO16400 [0,1,0,1,0,0|0,1,1]=4 292 B7R1.1 O=CC1=CCCC1 NO12865 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.1 O=CC1=CNC=C1 NO20728 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.1 O=CC1=CSC=C1 NO14553 [0,1,0,1,0,0|2,0,0]=4 295 B7R1.1 O=CC1=NC=CO1 DY565689 [0,1,0,1,0,0|1,0,1]=4 296 B7R1.1 O=CC1=NNC=C1 NO18284 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.1 OCC1=CC=NO1 NO15343 [0,1,0,1,0,0|1,0,1]=4 298 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,1,0,1,0,0|1,0,0]=3 299 B7R1.2 CC1=CC(=O)NN1 NO22601 [0,1,0,1,0,0|2,0,0]=4 300 B7R1.2 CC1=CC(Br)=NO1 DY113406 [0,1,0,1,0,0|2,0,0]=4 301 B7R1.2 CC1=CC(C)=NO1 NO14107 [0,1,0,1,0,0|2,0,0]=4 302 B7R1.2 CC1=CC=C(Br)O1 DY513585 [0,1,0,1,0,0|1,0,0]=3 303 B7R1.2 CC1=CC=C(Br)S1 NO22735 [0,1,0,1,0,0|1,1,0]=4 304 B7R1.2 CC1=CC=C(C)N1 NO21153 [0,1,0,1,0,0|2,0,0]=4 305 B7R1.2 CC1=CC=C(Cl)S1 DY451354 [0,1,0,1,0,0|1,1,0]=4 306 B7R1.2 CC1=CC=C(I)S1 DY530097 [0,1,0,1,0,0|1,1,0]=4 307 B7R1.2 CC1=CC=C(N)S1 DY787300 [0,1,0,1,0,0|1,1,0]=4 308 B7R1.2 CC1=CC=C(N)S1 DY787384 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,1,0,1,0,0|0,0,1]=3 310 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,1,0,1,0,0|1,0,1]=4 311 B7R1.2 CC1=NNC(=O)O1 NO10427 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.2 CC1=NOC(Br)=C1 DY773601 [0,1,0,1,0,0|2,0,0]=4 313 B7R1.2 CC1=NOC(N)=C1 NO16239 [0,1,0,1,0,0|2,0,0]=4 314 B7R1.2 CN1C=CC(Br)=N1 NO20720 [0,1,0,1,0,0|2,0,0]=4 315 B7R1.2 CN1C=CC(N)=C1 NO17699 [0,1,0,1,0,0|2,0,0]=4 316 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,1,0,1,0,0|0,0,2]=4 317 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,1,0,1,0,0|0,0,2]=4 318 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,1,0,1,0,0|1,0,1]=4 319 B7R1.2 NC1=CC(=O)CS1 DY786970 [0,1,0,1,0,0|1,1,0]=4 320 B7R1.2 NC1=CC(=O)NN1 NO13152 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.2 N[C@@H]1COC(=O)C1 NO14340 [0,1,0,1,0,0|0,0,2]=4 322 B7R1.2 N[C@H]1COC(=O)C1 NO14674 [0,1,0,1,0,0|0,0,2]=4 323 B7R1.2 O=C1C=CC(=O)O1 DY743137 [0,1,0,1,0,0|0,0,1]=3 324 B7R1.2 O=C1C=C[C@H](O)C1 DY562569 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,1,0,1,0,0|1,0,1]=4 326 B7R1.2 O=C1CCC(=O)N1 DY822949 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.2 O=C1CSC(=O)N1 NO22526 [0,1,0,1,0,0|1,1,0]=4 328 B7R1.2 O=C1C[C@@H](O)CO1 DY622437 [0,1,0,1,0,0|0,0,2]=4 329 B7R1.3 CC1C=CCCO1 DY560079 [0,1,0,1,0,0|1,0,1]=4 330 B7R1.3 O=C1C=CC=CN1 NO18724 [0,1,0,1,0,0|1,0,1]=4 331 B7R1.3 O=C1C=CC=NN1 NO19793 [0,1,0,1,0,0|1,0,1]=4 332 B7R1.3 O=C1C=CCCN1 NO15771 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.3 O=C1C=CCOC1 NO17023 [0,1,0,1,0,0|0,0,0]=2 334 B7R1.3 O=C1C=CN=CN1 NO19105 [0,1,0,1,0,0|1,0,1]=4 335 B7R1.3 O=C1CCCCO1 NO11208 [0,1,0,1,0,0|0,0,2]=4 336 B7R1.3 O=C1COCCN1 NO11697 [0,1,0,1,0,0|1,0,1]=4 337 B7R1.3 O=C1COCCO1 DY20725 [0,1,0,1,0,0|0,0,2]=4 338 B7R1.3 O=c1ccocc1 DY460890 [0,1,0,1,0,0|1,0,1]=4 339 B7R1.4 CC1=C(Br)SC=C1 NO13700 [0,1,0,1,0,0|2,0,0]=4 340 B7R1.4 CC1=CC=NN1C NO19266 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.4 CC1CCOC1=O DY759320 [0,1,0,1,0,0|0,0,2]=4 342 B7R1.4 CN1C=CN=C1I NO21609 [0,1,0,1,0,0|2,0,0]=4 343 B7R1.4 CN1C=NC=C1Br NO17783 [0,1,0,1,0,0|2,0,0]=4 344 B7R1.4 CN1C=NC=C1I NO16077 [0,1,0,1,0,0|2,0,0]=4 345 B7R1.4 CN1C=NC=C1N NO17122 [0,1,0,1,0,0|2,0,0]=4 346 B7R1.4 CN1CC=CC1=O DY717447 [0,1,0,1,0,0|1,0,0]=3 347 B7R1.4 CN1N=CC=C1Br NO12124 [0,1,0,1,0,0|2,0,0]=4 348 B7R1.4 CN1N=CC=C1N NO22609 [0,1,0,1,0,0|2,0,0]=4 349 B7R1.4 CN1N=CC=C1O NO10399 [0,1,0,1,0,0|1,0,1]=4 350 B7R1.4 CN1N=CCC1=O NO15601 [0,1,0,1,0,0|1,0,1]=4 351 B7R1.4 NC1CONC1=O NO19264 [0,1,0,1,0,0|1,0,1]=4 352 B7R1.4 NN1CCOC1=O DY774063 [0,1,0,1,0,0|1,0,1]=4 353 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,1,0,1,0,0|0,0,2]=4 354 B7R1.4 N[C@@H]1CONC1=O NO22528 [0,1,0,1,0,0|1,0,1]=4 355 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,1,0,1,0,0|0,0,2]=4 356 B7R1.4 O=C1CCC=C1Br DY504081 [0,1,0,1,0,0|1,0,0]=3 357 B7R1.4 O=C1CCC=C1O NO14654 [0,1,0,1,0,0|1,0,0]=3 358 B7R1.4 O=C1O[Cu]OC1=O DY560313 [0,1,0,1,0,0|2,0,0]=4 359 B7R1.14 O=S1(=O)C=CCO1 NO13255 [0,1,0,1,0,0|1,0,0]=3