0 B8R1.4 CC1=CC(=O)NN=C1 NO10446 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1=CC(Br)=NC=N1 NO13070 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.4 CC1=CC(C)=NC=N1 NO19849 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1=CC(C)OCC1 DY560031 [0,0,0,0,0,0|2,0,1]=3 4 B8R1.4 CC1=CC(Cl)=NC=C1 NO23009 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=CC(Cl)=NC=N1 NO22963 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.4 CC1=CC(F)=NC=C1 NO21868 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.4 CC1=CC(N)=NC=C1 NO15630 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.4 CC1=CC(N)=NC=N1 NO12473 [0,0,0,0,0,0|3,0,1]=4 9 B8R1.4 CC1=CC(O)=NC=C1 NO23034 [0,0,0,0,0,0|1,0,3]=4 10 B8R1.4 CC1=CC(O)=NC=N1 NO19796 [0,0,0,0,0,0|2,0,2]=4 11 B8R1.4 CC1=CC=CC(Br)=C1 NO19957 [0,0,0,0,0,0|1,0,3]=4 12 B8R1.4 CC1=CC=CC(F)=C1 NO19910 [0,0,0,0,0,0|1,0,3]=4 13 B8R1.4 CC1=CC=CC(I)=C1 NO19968 [0,0,0,0,0,0|1,0,3]=4 14 B8R1.4 CC1=CC=CC(N)=C1 NO11698 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.4 CC1=CN=CC(C)=C1 DY714404 [0,0,0,0,0,0|2,0,2]=4 16 B8R1.4 CC1=CN=CC(Cl)=C1 NO13884 [0,0,0,0,0,0|2,0,2]=4 17 B8R1.4 CC1=CN=CC(F)=C1 NO19335 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.4 CC1=CN=CC(N)=C1 NO14172 [0,0,0,0,0,0|2,0,2]=4 19 B8R1.4 CC1=CN=CC(O)=C1 NO14332 [0,0,0,0,0,0|1,0,3]=4 20 B8R1.4 CC1=NC=CC(=O)N1 NO22425 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.4 CC1=NC=CC(Br)=C1 DY658195 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.4 CC1=NC=CC(Br)=C1 NO13967 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.4 CC1=NC=CC(Cl)=C1 NO14214 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.4 CC1=NC=CC(F)=C1 NO15882 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.4 CC1=NC=CC(I)=C1 NO22899 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.4 CC1=NC=CC(N)=C1 NO19520 [0,0,0,0,0,0|2,0,2]=4 27 B8R1.4 CC1=NC=CC(O)=C1 NO22867 [0,0,0,0,0,0|1,0,3]=4 28 B8R1.4 CC1CCCN(N)C1 DY774663 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.4 CC1CCNC(=O)N1 DY694421 [0,0,0,0,0,0|2,0,1]=3 30 B8R1.4 CN1CCCC(=O)C1 DY774909 [0,0,0,0,0,0|1,0,1]=2 31 B8R1.4 CN1CCNC(=O)C1 NO13438 [0,0,0,0,0,0|2,0,1]=3 32 B8R1.4 CN1CCOC(=O)C1 NO17566 [0,0,0,0,0,0|2,0,1]=3 33 B8R1.4 C[C@@H]1CC(=O)CCN1 DY586650 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.4 C[C@@H]1CCC[C@H](O)C1 DY757141 [0,0,0,0,0,0|0,0,4]=4 35 B8R1.4 NC1=CC(=O)COC1 DY777652 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.4 NC1CCNC(=O)C1 NO15459 [0,0,0,0,0,0|2,0,2]=4 37 B8R1.4 O=C1C=C(Br)CCC1 DY560859 [0,0,0,0,0,0|1,0,0]=1 38 B8R1.4 O=C1C=C(Cl)C=NN1 NO12688 [0,0,0,0,0,0|3,0,1]=4 39 B8R1.4 O=C1C=C(I)C=CN1 NO22900 [0,0,0,0,0,0|2,0,2]=4 40 B8R1.4 O=C1C=C(I)C=NN1 NO12955 [0,0,0,0,0,0|3,0,1]=4 41 B8R1.4 O=C1C=C(O)C=CN1 NO19356 [0,0,0,0,0,0|2,0,2]=4 42 B8R1.4 O=C1CCCC(=O)C1 NO19094 [0,0,0,0,0,0|1,0,1]=2 43 B8R1.4 O=C1CCCC(=O)O1 NO11243 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.4 O=C1CCNC(=O)C1 NO18339 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.4 O=C1CNCC(=O)N1 DY585972 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.4 O=C1CNCC(=O)N1 NO19079 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.4 O=C1C[C@@H](O)CCN1 DY555969 [0,0,0,0,0,0|2,0,2]=4 48 B8R1.4 O=S1CCCC(Br)C1 DY586414 [0,0,0,0,0,0|2,0,2]=4 49 B7R1.3 BrC1=CCOCC1 DY543735 [1,0,0,0,0,0|2,0,1]=4 50 B7R1.3 CC1=CC=CN=N1 NO22374 [1,0,0,0,0,0|2,0,1]=4 51 B7R1.3 CC1=CN=NC=C1 NO22983 [1,0,0,0,0,0|2,0,1]=4 52 B7R1.3 CC1=NC=NC=C1 NO19795 [1,0,0,0,0,0|2,0,1]=4 53 B7R1.3 CC1C=CCCO1 DY560079 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.3 CC1CCCCN1 DY20418 [1,0,0,0,0,0|1,0,2]=4 55 B7R1.3 CN1CC=CCC1 NO20742 [1,0,0,0,0,0|1,0,2]=4 56 B7R1.3 C[C@@H]1CCCNC1 NO16133 [1,0,0,0,0,0|1,0,2]=4 57 B7R1.3 NC1C=CCCC1 DY608404 [1,0,0,0,0,0|1,0,1]=3 58 B7R1.3 O=C1C=CC=CN1 NO18724 [1,0,0,0,0,0|1,0,2]=4 59 B7R1.3 O=C1C=CC=NN1 NO19793 [1,0,0,0,0,0|2,0,1]=4 60 B7R1.3 O=C1C=CCCN1 NO15771 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.3 O=C1C=CCOC1 NO17023 [1,0,0,0,0,0|1,0,0]=2 62 B7R1.3 O=C1C=CN=CN1 NO19105 [1,0,0,0,0,0|2,0,1]=4 63 B7R1.3 O=C1CCCCO1 NO11208 [1,0,0,0,0,0|1,0,1]=3 64 B7R1.3 O=C1CCCNC1 DY557319 [1,0,0,0,0,0|1,0,1]=3 65 B7R1.3 O=C1CCCNC1 NO17767 [1,0,0,0,0,0|1,0,1]=3 66 B7R1.3 O=C1CCOCC1 NO13380 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.3 O=C1CCSCC1 NO18797 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.3 O=C1CNCCN1 NO19142 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.3 O=C1COCCN1 NO11697 [1,0,0,0,0,0|2,0,1]=4 70 B7R1.3 O=C1COCCO1 DY20725 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.3 O=S1CCCCC1 DY822282 [1,0,0,0,0,0|1,0,2]=4 72 B7R1.3 O=c1ccocc1 DY460890 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.3 OC1C=CCNC1 DY552951 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.2 CC1=CC(C=O)=NC=C1 NO19123 [0,1,0,0,0,0|1,0,2]=4 75 B9R1.2 CC1=CC=CC(C=O)=C1 DY41127 [0,1,0,0,0,0|0,0,3]=4 76 B9R1.2 CC1=NC=CC(C=O)=C1 NO15441 [0,1,0,0,0,0|1,0,2]=4 77 B9R1.2 NCC1=CC(=O)N=CN1 DY112983 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.2 O=C1C=CNC(CO)=C1 DY654576 [0,1,0,0,0,0|1,0,2]=4 79 B9R1.2 O=C1CNC[C@@H](CO)N1 DY586385 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.2 O=C1COCC(CO)N1 NO17255 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.3 CC1=C(N)C(=O)N=CN1 DY694631 [0,1,0,0,0,0|2,0,1]=4 82 B9R1.3 CC1=C(O)C(=O)C=CO1 DY21095 [0,1,0,0,0,0|1,0,2]=4 83 B9R1.3 CC1C(=O)CCCC1=O NO10132 [0,1,0,0,0,0|1,0,1]=3 84 B9R1.3 CN1C(=O)CNCC1=O DY564261 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.3 CN1CCC[C@@H](O)C1=O DY586206 [0,1,0,0,0,0|1,0,2]=4 86 B9R1.34 CC1=CC(=O)C=C(O)O1 NO16601 [0,1,0,0,0,0|1,0,2]=4 87 B9R1.34 CC1=CC(=O)NC(=O)N1 NO15364 [0,1,0,0,0,0|2,0,1]=4 88 B9R1.34 CC1=CC(=O)NC(N)=N1 NO14276 [0,1,0,0,0,0|2,0,1]=4 89 B9R1.34 CC1CC(=O)CC(=O)C1 NO19597 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.34 CC1CC(=O)CC(C)O1 DY425912 [0,1,0,0,0,0|1,0,2]=4 91 B9R1.34 CC1CC(=O)NC(=O)N1 DY695387 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.34 CN1CC(=O)NC(=O)C1 DY733177 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.34 C[C@H]1C[C@H](O)CC(=O)N1 DY586077 [0,1,0,0,0,0|1,0,1]=3 94 B9R1.66 CC1(C)CC(=O)CCO1 NO17870 [0,1,0,0,0,0|1,0,2]=4 95 B9R1.66 CC1(C)CCCC(=O)C1 DY10482 [0,1,0,0,0,0|0,0,2]=3 96 B9R1.69 CC1=CC(=O)NN=C1Cl NO15734 [0,1,0,0,0,0|2,0,1]=4 97 B9R1.69 CC1CNC(=O)CC1=O NO12978 [0,1,0,0,0,0|2,0,1]=4 98 B9R1.69 NC1CCC(=O)NC1=O NO13348 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.2 CC(=O)NC(=O)CCl DY741085 [0,0,1,0,0,0|3,0,0]=4 100 B7R0.2 CC(C)CC(=O)CN DY540483 [0,0,1,0,0,0|1,0,2]=4 101 B7R0.2 CC(C)NC(=O)CN DY605375 [0,0,1,0,0,0|2,0,1]=4 102 B7R0.2 CC(C)OC(=O)CO NO11522 [0,0,1,0,0,0|2,0,1]=4 103 B7R0.2 CCC(=O)CC(C)=O NO21124 [0,0,1,0,0,0|1,0,1]=3 104 B7R0.2 CCC(=O)OC(C)=O NO16382 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.2 COC(=O)\C=C(/C)F DY822490 [0,0,1,0,0,0|2,0,0]=3 106 B7R0.2 COC(=O)\C=C(/C)N NO13690 [0,0,1,0,0,0|2,0,0]=3 107 B7R0.4 C#CCCCC(=O)O NO14686 [0,0,1,0,0,0|1,0,2]=4 108 B7R0.4 CC(=O)CCCCBr NO10627 [0,0,1,0,0,0|1,0,2]=4 109 B7R0.4 CCCCCC(=O)Cl DY822275 [0,0,1,0,0,0|1,0,1]=3 110 B7R0.4 CCCOCC(=O)O DY425744 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.4 CCCSCC(N)=O DY742801 [0,0,1,0,0,0|2,0,1]=4 112 B7R0.4 CNCCCC(=O)O DY702793 [0,0,1,0,0,0|2,0,0]=3 113 B7R0.4 O=C(Cl)CCCCCl DY460464 [0,0,1,0,0,0|2,0,1]=4 114 B7R0.7 CC#CC(=O)OCC NO10117 [0,0,1,0,0,0|1,0,2]=4 115 B7R0.7 CCOC(=O)CC=O DY586084 [0,0,1,0,0,0|2,0,1]=4 116 B7R0.7 CCOC(=O)CCN NO14330 [0,0,1,0,0,0|2,0,1]=4 117 B7R0.7 CCOC(=O)CNC NO17068 [0,0,1,0,0,0|2,0,1]=4 118 B7R0.7 CCOC(=O)COC NO11389 [0,0,1,0,0,0|2,0,1]=4 119 B7R0.7 CCOC(=O)\C=C\Br DY822474 [0,0,1,0,0,0|2,0,0]=3 120 B9R2.25 O=C1OC(=O)C2CC12 NO22387 [0,0,0,1,0,0|2,0,0]=3 121 B9R2.39 O=C1CC2CC1CO2 DY506766 [0,0,0,1,0,0|1,0,2]=4 122 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 DY620394 [0,0,0,1,0,0|1,0,1]=3 123 B7R1.2 CC1=CC(=O)CC1 NO22356 [0,0,0,0,1,0|0,0,0]=1 124 B7R1.2 CC1=CC(=O)NN1 NO22601 [0,0,0,0,1,0|2,0,0]=3 125 B7R1.2 CC1=CC(Br)=CS1 NO22736 [0,0,0,0,1,0|2,0,1]=4 126 B7R1.2 CC1=CC(Br)=NN1 NO12832 [0,0,0,0,1,0|3,0,0]=4 127 B7R1.2 CC1=CC(Br)=NO1 DY113406 [0,0,0,0,1,0|3,0,0]=4 128 B7R1.2 CC1=CC(C)=NN1 NO19982 [0,0,0,0,1,0|3,0,0]=4 129 B7R1.2 CC1=CC(C)=NO1 NO14107 [0,0,0,0,1,0|3,0,0]=4 130 B7R1.2 CC1=CC(I)=NN1 NO16887 [0,0,0,0,1,0|3,0,0]=4 131 B7R1.2 CC1=CC(N)=CS1 DY786994 [0,0,0,0,1,0|2,0,1]=4 132 B7R1.2 CC1=CCC(=O)O1 DY562161 [0,0,0,0,1,0|1,0,1]=3 133 B7R1.2 CC1=NCC(=O)O1 DY774159 [0,0,0,0,1,0|2,0,0]=3 134 B7R1.2 CC1=NNC(=O)C1 NO16242 [0,0,0,0,1,0|2,0,1]=4 135 B7R1.2 CC1=NNC(=O)O1 NO10427 [0,0,0,0,1,0|3,0,0]=4 136 B7R1.2 CC1=NOC(Br)=C1 DY773601 [0,0,0,0,1,0|3,0,0]=4 137 B7R1.2 CC1=NOC(N)=C1 NO16239 [0,0,0,0,1,0|3,0,0]=4 138 B7R1.2 CC1=NSC(N)=C1 DY459756 [0,0,0,0,1,0|3,0,0]=4 139 B7R1.2 CC1=NSC(N)=C1 NO16387 [0,0,0,0,1,0|3,0,0]=4 140 B7R1.2 CC1CCC(=O)N1 DY505299 [0,0,0,0,1,0|1,0,1]=3 141 B7R1.2 CN1CCC(=O)C1 NO20760 [0,0,0,0,1,0|1,0,1]=3 142 B7R1.2 C[C@@H]1COC(=O)N1 NO14300 [0,0,0,0,1,0|2,0,1]=4 143 B7R1.2 C[C@H]1COC(=O)N1 DY553365 [0,0,0,0,1,0|2,0,1]=4 144 B7R1.2 C[N+]1=CC(=O)O[N-]1 DY567615 [0,0,0,0,1,0|3,0,0]=4 145 B7R1.2 NC1=CC(=O)CS1 DY786970 [0,0,0,0,1,0|2,0,0]=3 146 B7R1.2 NC1=CC(=O)NN1 NO13152 [0,0,0,0,1,0|3,0,0]=4 147 B7R1.2 O=C1CCC(=O)C1 DY552447 [0,0,0,0,1,0|1,0,1]=3 148 B7R1.2 O=C1CCC(=O)N1 DY822949 [0,0,0,0,1,0|2,0,0]=3 149 B7R1.2 O=C1CSC(=O)N1 NO22526 [0,0,0,0,1,0|3,0,0]=4 150 B7R1.2 O=C1CSC(=S)N1 DY522063 [0,0,0,0,1,0|3,0,0]=4 151 B7R1.4 CC1CCCC1O DY757267 [0,0,0,0,1,0|0,0,3]=4 152 B7R1.4 CC1CCOC1=O DY759320 [0,0,0,0,1,0|1,0,1]=3 153 B7R1.4 CC1OCCC1=O NO14135 [0,0,0,0,1,0|1,0,1]=3 154 B7R1.4 CN1CC=CC1=O DY717447 [0,0,0,0,1,0|1,0,2]=4 155 B7R1.4 CN1N=CCC1=O NO15601 [0,0,0,0,1,0|2,0,1]=4 156 B7R1.4 C[C@@H]1CCNC1=O DY546075 [0,0,0,0,1,0|1,0,1]=3 157 B7R1.4 C[C@H]1CCNC1=O DY560337 [0,0,0,0,1,0|1,0,1]=3 158 B7R1.4 NN1CCOC1=O DY774063 [0,0,0,0,1,0|3,0,0]=4 159 B7R1.4 N[C@@H]1CCOC1=O NO18578 [0,0,0,0,1,0|2,0,1]=4 160 B7R1.4 N[C@H]1CCOC1=O DY541269 [0,0,0,0,1,0|2,0,1]=4 161 B7R1.4 O=C1CCC=C1Br DY504081 [0,0,0,0,1,0|1,0,1]=3 162 B7R1.4 O=C1CCC=C1O NO14654 [0,0,0,0,1,0|1,0,1]=3 163 B7R1.4 O=C1CCCC1Cl DY567621 [0,0,0,0,1,0|1,0,1]=3 164 B7R1.4 O=C1NCCC1O DY444274 [0,0,0,0,1,0|2,0,1]=4 165 B7R1.4 O=C1NCC[C@@H]1O NO19486 [0,0,0,0,1,0|2,0,1]=4 166 B7R1.4 O=C1NCC[C@H]1O DY115910 [0,0,0,0,1,0|2,0,1]=4 167 B9R1.48 NC1CCCNC(=O)C1 DY743197 [0,0,0,0,0,1|1,0,2]=4 168 B9R1.48 O=C1CCCCC(=O)C1 NO20375 [0,0,0,0,0,1|1,0,1]=3 169 B9R1.48 O=C1CCCCC(=S)N1 DY568851 [0,0,0,0,0,1|2,0,0]=3 170 B9R1.49 CN1CCCC(=O)CC1 NO13899 [0,0,0,0,0,1|1,0,1]=3 171 B9R1.49 O=C1CCCC(O)CN1 DY743185 [0,0,0,0,0,1|1,0,2]=4 172 B6R0.1 C=CC(=O)NCO DY580281 [1,0,1,0,0,0|2,0,0]=4 173 B6R0.1 CCCC(=O)NN NO22544 [1,0,1,0,0,0|2,0,0]=4 174 B6R0.1 CCOC(=O)CC DY460554 [1,0,1,0,0,0|1,0,1]=4 175 B6R0.1 COC(=O)CCCl DY741043 [1,0,1,0,0,0|2,0,0]=4 176 B6R0.1 COC(=O)CCN NO22266 [1,0,1,0,0,0|2,0,0]=4 177 B6R0.1 COC(=O)CSC DY460536 [1,0,1,0,0,0|2,0,0]=4 178 B6R0.2 CC(=O)NC(C)C DY461094 [1,0,1,0,0,0|1,0,1]=4 179 B6R0.2 CC(C)=CC(=O)O NO14947 [1,0,1,0,0,0|1,0,0]=3 180 B6R0.2 CC(C)=CC(N)=O DY795567 [1,0,1,0,0,0|1,0,0]=3 181 B6R0.4 C=CCCC(=O)O NO15216 [1,0,1,0,0,0|1,0,1]=4 182 B6R0.4 CC(=O)CCCBr NO10305 [1,0,1,0,0,0|1,0,1]=4 183 B6R0.4 CC(=O)CCCCl NO10334 [1,0,1,0,0,0|1,0,1]=4 184 B6R0.4 CC\C=C\C(C)=O DY822743 [1,0,1,0,0,0|0,0,0]=2 185 B6R0.4 CSCCC(C)=O DY740809 [1,0,1,0,0,0|1,0,1]=4 186 B6R0.4 NCCCC(=O)O NO14998 [1,0,1,0,0,0|2,0,0]=4 187 B6R0.4 NC\C=C\C(=O)O DY552195 [1,0,1,0,0,0|2,0,0]=4 188 B6R0.4 O=C(O)CCCBr NO14053 [1,0,1,0,0,0|2,0,0]=4 189 B6R0.6 C#CCCCC=C DY565911 [1,0,1,0,0,0|0,0,2]=4 190 B6R0.6 C=CCCCCCl DY427568 [1,0,1,0,0,0|1,0,1]=4 191 B6R0.6 C=CCCCCO NO10397 [1,0,1,0,0,0|0,0,2]=4 192 B6R0.6 C=CCCC[Zn]Br DY121349 [1,0,1,0,0,0|2,0,0]=4 193 B6R0.6 C=CCNCC=C DY563475 [1,0,1,0,0,0|1,0,1]=4 194 B6R0.6 O=CCCCC=O DY822316 [1,0,1,0,0,0|1,0,0]=3 195 B6R0.6 O=CCCCCBr DY510224 [1,0,1,0,0,0|1,0,1]=4 196 B6R1.1 C1=CCNCC1 DY444071 [2,0,0,0,0,0|1,0,1]=4 197 B6R1.1 C1=CCSCC1 DY427366 [2,0,0,0,0,0|1,0,1]=4 198 B6R1.1 C1=COCCC1 DY20500 [2,0,0,0,0,0|1,0,0]=3 199 B8R0.5 CCOC(=O)C=C(C)C NO11345 [0,1,1,0,0,0|0,0,0]=2 200 B8R0.5 CCOC(=O)\C=C(/C)N NO15795 [0,1,1,0,0,0|1,0,0]=3 201 B8R0.5 COCC(C)OC(C)=O DY822378 [0,1,1,0,0,0|1,0,1]=4 202 B8R0.19 CCC(=O)CC(=O)CC NO22007 [0,1,1,0,0,0|1,0,1]=4 203 B8R0.19 CCC(=O)CC(=O)OC NO18389 [0,1,1,0,0,0|1,0,1]=4 204 B8R0.23 CC(C)OC(=O)[C@H](C)N NO14281 [0,1,1,0,0,0|1,0,1]=4 205 B8R0.24 CCC(=O)OC(C)(C)C DY461112 [0,1,1,0,0,0|1,0,1]=4 206 B8R0.6 O=CCCCC(O)C=O DY822725 [0,1,1,0,0,0|1,0,1]=4 207 B8R0.7 CCCCCCC(=O)O DY822462 [0,1,1,0,0,0|1,0,1]=4 208 B8R0.7 CSCCCCC(=O)O DY112374 [0,1,1,0,0,0|1,0,1]=4 209 B8R0.7 NCCCCCC(=O)O NO13381 [0,1,1,0,0,0|1,0,1]=4 210 B8R0.7 O=C(O)CCCCCBr NO18405 [0,1,1,0,0,0|1,0,1]=4 211 B8R0.8 CCCC[C@H](C)C(=O)O DY585471 [0,1,1,0,0,0|1,0,1]=4 212 B8R0.8 CSCCC(N)C(=O)O DY500936 [0,1,1,0,0,0|2,0,0]=4 213 B8R0.8 CSCC[C@H](N)C(=O)O NO18644 [0,1,1,0,0,0|2,0,0]=4 214 B8R0.28 CC(=O)CCC=C(C)C DY506172 [0,1,1,0,0,0|0,0,2]=4 215 B8R0.28 CC(=O)CCCC(=O)O DY547923 [0,1,1,0,0,0|1,0,0]=3 216 B8R0.28 CC(=O)NCCC(=O)O DY584556 [0,1,1,0,0,0|2,0,0]=4 217 B8R0.28 CC(C)CCCC(=O)O DY564243 [0,1,1,0,0,0|0,0,2]=4 218 B8R0.28 CN(C)CCCC(=O)O NO18615 [0,1,1,0,0,0|1,0,1]=4 219 B8R0.28 NC(=O)CCCC(=O)O DY604617 [0,1,1,0,0,0|2,0,0]=4 220 B8R0.28 NC(=O)CCCC(N)=O DY549807 [0,1,1,0,0,0|2,0,0]=4 221 B8R0.1 CCOC(=O)CCCCl DY822383 [0,1,1,0,0,0|1,0,1]=4 222 B8R0.1 CCOC(=O)CCCO DY111642 [0,1,1,0,0,0|1,0,1]=4 223 B8R0.1 CCOC(=O)\C=C\C=O NO11394 [0,1,1,0,0,0|1,0,1]=4 224 B8R0.1 CCOCC(=O)OCC DY461136 [0,1,1,0,0,0|1,0,1]=4 225 B8R0.3 CCNC(=O)[C@@H](N)CC DY116564 [0,1,1,0,0,0|1,0,1]=4 226 B8R0.3 CCOC(=O)C(=O)CC NO13439 [0,1,1,0,0,0|1,0,1]=4 227 B8R1.2 COC1=CCCCC1 DY789345 [1,1,0,0,0,0|0,0,1]=3 228 B8R1.2 COC1=NCCCC1 DY711079 [1,1,0,0,0,0|1,0,1]=4 229 B8R1.2 O=CC1=CCCOC1 NO10171 [1,1,0,0,0,0|1,0,1]=4 230 B8R1.3 CC1CCC(=O)OC1 DY777526 [1,1,0,0,0,0|1,0,1]=4 231 B8R1.3 NC1CCC(=O)CC1 NO22583 [1,1,0,0,0,0|0,0,2]=4 232 B8R1.3 NC1CCC(=O)NC1 DY444382 [1,1,0,0,0,0|1,0,1]=4 233 B8R1.3 O=C1CCC(O)CC1 NO22889 [1,1,0,0,0,0|0,0,2]=4 234 B8R1.3 O=C1CC[C@@H](O)CN1 DY502941 [1,1,0,0,0,0|1,0,1]=4 235 B8R1.5 CC1=NCCCN1C DY20695 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.5 CN1CCCNC1=O DY502023 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.5 N[C@@H]1CCCNC1=O DY585291 [1,1,0,0,0,0|1,0,1]=4 238 B8R1.5 N[C@H]1CCCNC1=O DY106744 [1,1,0,0,0,0|1,0,1]=4 239 B8R1.5 N[C@H]1CCCNC1=O DY554319 [1,1,0,0,0,0|1,0,1]=4 240 B8R1.5 O=C1CCCCC1=O NO20486 [1,1,0,0,0,0|0,0,1]=3 241 B8R1.5 O=C1CCCCC1Br DY573183 [1,1,0,0,0,0|0,0,2]=4 242 B8R1.5 O=C1CCCCN1O DY822177 [1,1,0,0,0,0|1,0,1]=4 243 B8R1.5 O=C1NCCCC1O NO19689 [1,1,0,0,0,0|1,0,1]=4 244 B8R1.5 O=C1NCCC[C@H]1O DY541749 [1,1,0,0,0,0|1,0,1]=4 245 B8R1.5 O=C1NCCNC1=O DY517029 [1,1,0,0,0,0|2,0,0]=4 246 B8R1.5 O=C1OCCCC1O NO16147 [1,1,0,0,0,0|1,0,1]=4 247 B8R1.1 CC1=CC(C=O)=CS1 DY443650 [0,1,0,0,1,0|1,0,1]=4 248 B8R1.1 CC1=NSC(C=O)=C1 DY116147 [0,1,0,0,1,0|2,0,0]=4 249 B8R1.1 O=C1CCC(CO)N1 DY564003 [0,1,0,0,1,0|1,0,1]=4 250 B8R1.1 O=C1CC[C@@H](CO)N1 NO13834 [0,1,0,0,1,0|1,0,1]=4 251 B8R1.1 O=C1CC[C@H](CO)N1 NO15562 [0,1,0,0,1,0|1,0,1]=4 252 B8R1.18 CC1=CC(=O)N(C)N1 NO18184 [0,1,0,0,1,0|2,0,0]=4 253 B8R1.18 CC1=CC(=O)OC1O NO22773 [0,1,0,0,1,0|1,0,0]=3 254 B8R1.18 O=C1CC(Br)C(=O)O1 DY822751 [0,1,0,0,1,0|2,0,0]=4 255 B8R1.50 CC1=C(C)C(=O)N=N1 DY566079 [0,1,0,0,1,0|2,0,0]=4 256 B8R1.50 CC1=C(O)C(=O)CC1 NO16508 [0,1,0,0,1,0|0,0,0]=2 257 B8R1.50 CC1C(=O)CCC1=O NO21655 [0,1,0,0,1,0|1,0,1]=4 258 B8R1.50 O=C1CCC(=O)N1O NO19674 [0,1,0,0,1,0|2,0,0]=4 259 B8R1.50 O=C1OCC(Br)=C1Br DY525615 [0,1,0,0,1,0|2,0,0]=4 260 B8R1.11 N#CC1CCCC1=O NO20047 [0,1,0,0,1,0|0,0,2]=4 261 B8R1.11 O=C1OCC=C1CO DY759542 [0,1,0,0,1,0|1,0,1]=4 262 B10R1.113 CC(C)C1CCCC(=O)C1 DY756979 [0,2,0,0,0,0|0,0,2]=4 263 B10R1.113 CC(C)C1CCCC(=O)N1 DY585707 [0,2,0,0,0,0|1,0,1]=4 264 B10R1.329 CC1(C)CC(=O)NC(=O)C1 DY461082 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.25 CC1=CC(C)C(C=O)CC1 DY822722 [0,2,0,0,0,0|1,0,1]=4 266 B10R1.25 CNC1CCC(=O)NC1=O DY525621 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.63 CC1(C)CCC(=O)OC1=O DY777472 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.29 CC1C(=O)NC1(C)C DY720526 [0,0,1,1,0,0|1,0,1]=4 269 B8R1.34 O=C(O)C=C1CCC1 DY544251 [0,0,1,1,0,0|1,0,0]=3 270 B8R1.6 CCCC1CC(=O)C1 DY561087 [0,0,1,1,0,0|0,0,2]=4 271 B8R1.7 CC(=O)C1CCCC1 DY445790 [0,0,1,1,0,0|0,0,2]=4 272 B8R1.7 CC(=O)C1CCCC1 NO20673 [0,0,1,1,0,0|0,0,2]=4 273 B8R1.7 NC(=O)C1CC=CC1 NO11184 [0,0,1,1,0,0|1,0,1]=4 274 B8R1.7 NC(=O)C1CCCC1 DY794313 [0,0,1,1,0,0|1,0,1]=4 275 B8R1.7 NC(=O)C1CCNC1 DY555753 [0,0,1,1,0,0|2,0,0]=4 276 B8R1.7 NC(=O)C1CCNC1 DY565263 [0,0,1,1,0,0|2,0,0]=4 277 B8R1.7 O=C(O)C1CCNC1 NO18444 [0,0,1,1,0,0|2,0,0]=4 278 B8R1.7 O=C(O)C1CCNC1 NO19637 [0,0,1,1,0,0|2,0,0]=4 279 B8R1.7 O=C(O)C1CCOC1 DY444586 [0,0,1,1,0,0|2,0,0]=4 280 B8R1.7 O=C(O)[C@@H]1CCOC1 NO19475 [0,0,1,1,0,0|2,0,0]=4 281 B8R1.7 O=C(O)[C@H]1CCNC1 DY569091 [0,0,1,1,0,0|2,0,0]=4 282 B8R1.22 O=C1CCCCCC1 DY461238 [0,0,1,1,0,0|0,0,2]=4 283 B8R1.22 O=C1CCCNCC1 NO19096 [0,0,1,1,0,0|1,0,1]=4 284 B8R1.35 O=C(O)CCC1CC1 NO19562 [0,0,1,1,0,0|1,0,1]=4 285 B8R1.37 CCCC(=O)N1CC1 DY743815 [0,0,1,1,0,0|1,0,1]=4 286 B8R1.37 CN(CC=O)C1CC1 DY758683 [0,0,1,1,0,0|1,0,1]=4 287 B8R2.34 C1=CC2CC1CN2 DY566295 [1,0,0,1,0,0|1,0,1]=4 288 B8R2.34 C1=CC2CCC1C2 NO11805 [1,0,0,1,0,0|0,0,1]=3 289 B10R2.42 O=C1OC(=O)C2CCC12 NO19443 [0,0,0,1,0,1|2,0,0]=4 290 B10R2.62 O=C1CN2CCC1CC2 NO19608 [0,1,0,1,0,0|1,0,1]=4 291 B10R2.534 O=C1CCCC2(CC2)N1 NO17693 [0,1,0,1,0,0|1,0,1]=4 292 B6R0.3 CC(C)C(=O)CCl DY740659 [0,0,1,0,1,0|1,0,1]=4 293 B6R0.3 CCC(=O)C(=O)O NO21626 [0,0,1,0,1,0|2,0,0]=4 294 B6R0.3 CN(C)C(=O)CBr NO14025 [0,0,1,0,1,0|2,0,0]=4 295 B6R0.3 CN(C)C(=O)CCl DY545469 [0,0,1,0,1,0|2,0,0]=4 296 B6R0.3 CN(C)C(=O)CN NO21306 [0,0,1,0,1,0|2,0,0]=4 297 B6R0.3 COC(=O)C(C)C DY41931 [0,0,1,0,1,0|1,0,1]=4 298 B6R0.3 CON(C)C(C)=O NO11789 [0,0,1,0,1,0|2,0,0]=4 299 B6R1.2 CC1=CC=CN1 NO21660 [1,0,0,0,1,0|1,0,1]=4 300 B6R1.2 CC1=CC=CS1 NO21701 [1,0,0,0,1,0|1,0,1]=4 301 B6R1.2 CC1=CC=NN1 DY21108 [1,0,0,0,1,0|2,0,0]=4 302 B6R1.2 CC1=CNC=C1 DY20689 [1,0,0,0,1,0|1,0,1]=4 303 B6R1.2 CC1=NCCC1 NO21664 [1,0,0,0,1,0|1,0,0]=3 304 B6R1.2 CC1=NNC=C1 NO13720 [1,0,0,0,1,0|2,0,0]=4 305 B6R1.2 CC1=NOC=C1 NO11533 [1,0,0,0,1,0|2,0,0]=4 306 B6R1.2 CC1CCCN1 NO21699 [1,0,0,0,1,0|1,0,1]=4 307 B6R1.2 CC1CCCN1 NO21700 [1,0,0,0,1,0|1,0,1]=4 308 B6R1.2 CC1CCCO1 DY20580 [1,0,0,0,1,0|1,0,1]=4 309 B6R1.2 C[C@@H]1CCCN1 NO18299 [1,0,0,0,1,0|1,0,1]=4 310 B6R1.2 C[C@H]1CCCN1 NO18800 [1,0,0,0,1,0|1,0,1]=4 311 B6R1.2 C[C@H]1CCCN1 NO19735 [1,0,0,0,1,0|1,0,1]=4 312 B6R1.2 N=C1CCCS1 DY556065 [1,0,0,0,1,0|2,0,0]=4 313 B6R1.2 NC1=NCCC1 NO19310 [1,0,0,0,1,0|2,0,0]=4 314 B6R1.2 O=C1CCCC1 DY21085 [1,0,0,0,1,0|0,0,1]=3 315 B6R1.2 O=C1CCNC1 NO22412 [1,0,0,0,1,0|1,0,1]=4 316 B6R1.2 O=C1CCOC1 NO18178 [1,0,0,0,1,0|1,0,1]=4 317 B6R1.2 O=C1CCSC1 DY20305 [1,0,0,0,1,0|1,0,1]=4 318 B6R1.2 O=C1N=CCO1 DY565077 [1,0,0,0,1,0|2,0,0]=4 319 B6R1.2 O=C1NCCN1 NO21607 [1,0,0,0,1,0|2,0,0]=4 320 B6R1.4 NN1CCC1=O DY585858 [0,0,0,0,2,0|2,0,0]=4 321 B6R1.5 C=C1CC(=O)O1 DY732691 [0,0,0,0,2,0|1,0,1]=4 322 B6R1.5 CN1CC(=O)C1 DY533589 [0,0,0,0,2,0|1,0,1]=4